N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide

C18H22N2O — CID 60919316

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-4-9-17(13(2)10-12)18(21)20-14(3)16-7-5-15(11-19)6-8-16/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyKNMQOXLOURSSQB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide (PubChem CID 60919316) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
PubChem CID60919316
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-12-4-9-17(13(2)10-12)18(21)20-14(3)16-7-5-15(11-19)6-8-16/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyKNMQOXLOURSSQB-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide (CID 60919316) is N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc(CN)cc2)c(C)c1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is KNMQOXLOURSSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-4-9-17(13(2)10-12)18(21)20-14(3)16-7-5-15(11-19)6-8-16/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 60919316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).