1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide

C17H18N2O2 — CID 115913409

IUPAC1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccccc3CO)CC2)cc1
InChIInChI=1S/C17H18N2O2/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20/h1-8,20H,9-11,18H2,(H,19,21)
InChIKeyIBCUFHYRNDGPIW-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115913409) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID115913409
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)Nc3ccccc3CO)CC2)cc1
InChIInChI=1S/C17H18N2O2/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20/h1-8,20H,9-11,18H2,(H,19,21)
InChIKeyIBCUFHYRNDGPIW-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 43710737
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
CID 62878827

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide (CID 115913409) is 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)Nc3ccccc3CO)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IBCUFHYRNDGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20/h1-8,20H,9-11,18H2,(H,19,21).
What are the key properties of 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115913409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).