[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

C17H27N2O- — CID 87107130

IUPAC[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@H](C)CN1CCC[C@@H]1COC
InChIInChI=1S/C17H27N2O/c1-14(12-19-11-7-10-16(19)13-20-3)17(18-2)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3/q-1/t14-,16-,17-/m1/s1
InChIKeyNVRBLMURUHTDJC-DJIMGWMZSA-N
MW275.42 g/mol
LogP3.48
Rot. Bonds7

About [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide

[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (PubChem CID 87107130) has the molecular formula C17H27N2O- and a molecular weight of 275.42 g/mol. Its IUPAC name is [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.

Molecular Properties

Compound Name[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
PubChem CID87107130
Molecular FormulaC17H27N2O-
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC Name[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
SMILESC[N-][C@@H](c1ccccc1)[C@H](C)CN1CCC[C@@H]1COC
InChIInChI=1S/C17H27N2O/c1-14(12-19-11-7-10-16(19)13-20-3)17(18-2)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3/q-1/t14-,16-,17-/m1/s1
InChIKeyNVRBLMURUHTDJC-DJIMGWMZSA-N
XLogP3.48
TPSA26.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide with MolForge

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Related Compounds

[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 134924028
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The IUPAC name of [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide (CID 87107130) is [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide.
What is the SMILES notation for [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The canonical SMILES for [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is C[N-][C@@H](c1ccccc1)[C@H](C)CN1CCC[C@@H]1COC.
What is the InChIKey of [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
The InChIKey is NVRBLMURUHTDJC-DJIMGWMZSA-N. The full InChI is InChI=1S/C17H27N2O/c1-14(12-19-11-7-10-16(19)13-20-3)17(18-2)15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3/q-1/t14-,16-,17-/m1/s1.
What are the key properties of [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide?
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide has a molecular weight of 275.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide is sourced from PubChem (CID 87107130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).