[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C16H23N3O — CID 63168351

IUPAC[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C16H23N3O/c17-11-13-4-3-5-14(10-13)16(20)19-9-6-15(12-19)18-7-1-2-8-18/h3-5,10,15H,1-2,6-9,11-12,17H2
InChIKeyTWYXBUQZGOZOTF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.46
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63168351) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63168351
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C16H23N3O/c17-11-13-4-3-5-14(10-13)16(20)19-9-6-15(12-19)18-7-1-2-8-18/h3-5,10,15H,1-2,6-9,11-12,17H2
InChIKeyTWYXBUQZGOZOTF-UHFFFAOYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 25031425
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 63168351) is [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is NCc1cccc(C(=O)N2CCC(N3CCCC3)C2)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is TWYXBUQZGOZOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-11-13-4-3-5-14(10-13)16(20)19-9-6-15(12-19)18-7-1-2-8-18/h3-5,10,15H,1-2,6-9,11-12,17H2.
What are the key properties of [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63168351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).