2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide

C16H24N2O — CID 107413174

IUPAC2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(8-12)11-18-16(19)9-14-4-2-3-5-15(14)10-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19)
InChIKeyLZNBFKDRZGNIEP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide (PubChem CID 107413174) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
PubChem CID107413174
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(8-12)11-18-16(19)9-14-4-2-3-5-15(14)10-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19)
InChIKeyLZNBFKDRZGNIEP-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
2-(5-amino-2-pyridinyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413069
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
(3-methylcyclopentyl)methylurea
CID 20542807
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide (CID 107413174) is 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide is CC1CCC(CNC(=O)Cc2ccccc2CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide?
The InChIKey is LZNBFKDRZGNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-7-13(8-12)11-18-16(19)9-14-4-2-3-5-15(14)10-17/h2-5,12-13H,6-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 107413174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).