[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone

C19H29N3O2 — CID 124694666

IUPAC[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
SMILESC[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H]3CN)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-14-11-21(12-15(2)24-14)13-16-5-7-17(8-6-16)19(23)22-9-3-4-18(22)10-20/h5-8,14-15,18H,3-4,9-13,20H2,1-2H3/t14-,15+,18-/m1/s1
InChIKeyOOQWUXVSFMKECC-RVKKMQEKSA-N
MW331.46 g/mol
LogP1.86
Rot. Bonds4

About [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone (PubChem CID 124694666) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
PubChem CID124694666
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
SMILESC[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H]3CN)cc2)C[C@H](C)O1
InChIInChI=1S/C19H29N3O2/c1-14-11-21(12-15(2)24-14)13-16-5-7-17(8-6-16)19(23)22-9-3-4-18(22)10-20/h5-8,14-15,18H,3-4,9-13,20H2,1-2H3/t14-,15+,18-/m1/s1
InChIKeyOOQWUXVSFMKECC-RVKKMQEKSA-N
XLogP1.86
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone with MolForge

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 124694657
1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 74138603
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 125153505
methyl (2S)-1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]pyrrolidine-2-carboxylate
CID 124829290
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
[2-(aminomethyl)piperidin-1-yl]-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone;hydrochloride
CID 119469450
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124689277
1-[[4-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124595392
1-[(3S)-4-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]-3-methylpiperazin-1-yl]ethanone
CID 98788015
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[5-(aminomethyl)furan-2-yl]-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 124689803

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone (CID 124694666) is [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone is C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H]3CN)cc2)C[C@H](C)O1.
What is the InChIKey of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
The InChIKey is OOQWUXVSFMKECC-RVKKMQEKSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-11-21(12-15(2)24-14)13-16-5-7-17(8-6-16)19(23)22-9-3-4-18(22)10-20/h5-8,14-15,18H,3-4,9-13,20H2,1-2H3/t14-,15+,18-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone?
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone has a molecular weight of 331.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone is sourced from PubChem (CID 124694666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).