2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide

C15H21BrN2O — CID 81384002

IUPAC2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1CN)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10(12-6-2-3-8-14(12)16)18-15(19)13-7-4-5-11(13)9-17/h2-3,6,8,10-11,13H,4-5,7,9,17H2,1H3,(H,18,19)/t10-,11?,13?/m1/s1
InChIKeyZMMHJKXVYUFFPU-XSRFYTQQSA-N
MW325.25 g/mol
LogP3.00
Rot. Bonds4

About 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 81384002) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID81384002
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC1CN)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-10(12-6-2-3-8-14(12)16)18-15(19)13-7-4-5-11(13)9-17/h2-3,6,8,10-11,13H,4-5,7,9,17H2,1H3,(H,18,19)/t10-,11?,13?/m1/s1
InChIKeyZMMHJKXVYUFFPU-XSRFYTQQSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
(1S,6R)-6-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103881146
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 81380549
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016308
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81377637

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide (CID 81384002) is 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide is C[C@@H](NC(=O)C1CCCC1CN)c1ccccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is ZMMHJKXVYUFFPU-XSRFYTQQSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(12-6-2-3-8-14(12)16)18-15(19)13-7-4-5-11(13)9-17/h2-3,6,8,10-11,13H,4-5,7,9,17H2,1H3,(H,18,19)/t10-,11?,13?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81384002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).