4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

C18H20N2O — CID 82546336

IUPAC4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c19-12-14-6-8-15(9-7-14)17(21)20-13-18(10-11-18)16-4-2-1-3-5-16/h1-9H,10-13,19H2,(H,20,21)
InChIKeyAREQVRFMUYYPEG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 82546336) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID82546336
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c19-12-14-6-8-15(9-7-14)17(21)20-13-18(10-11-18)16-4-2-1-3-5-16/h1-9H,10-13,19H2,(H,20,21)
InChIKeyAREQVRFMUYYPEG-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
CID 20978143
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 82546336) is 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is NCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is AREQVRFMUYYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-12-14-6-8-15(9-7-14)17(21)20-13-18(10-11-18)16-4-2-1-3-5-16/h1-9H,10-13,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 82546336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).