N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide

C15H23N3O — CID 16779594

IUPACN-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
SMILESNCc1ccccc1NC(=O)CCCN1CCCC1
InChIInChI=1S/C15H23N3O/c16-12-13-6-1-2-7-14(13)17-15(19)8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19)
InChIKeyUQIAISCCZUSHAG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide

N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 16779594) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
PubChem CID16779594
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
SMILESNCc1ccccc1NC(=O)CCCN1CCCC1
InChIInChI=1S/C15H23N3O/c16-12-13-6-1-2-7-14(13)17-15(19)8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19)
InChIKeyUQIAISCCZUSHAG-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(aminomethyl)phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 28744880
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
N-[2-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283533
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788872
N-[2-(aminomethyl)phenyl]-3-(3,4-dimethylpiperazin-1-yl)propanamide
CID 63603834
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide (CID 16779594) is N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide is NCc1ccccc1NC(=O)CCCN1CCCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is UQIAISCCZUSHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-12-13-6-1-2-7-14(13)17-15(19)8-5-11-18-9-3-4-10-18/h1-2,6-7H,3-5,8-12,16H2,(H,17,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide?
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 16779594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).