N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide

C18H22N2O — CID 43275450

IUPACN-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
SMILESCN(C(=O)C(C)(C)c1ccccc1)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,15-7-5-4-6-8-15)17(21)20(3)16-11-9-14(13-19)10-12-16/h4-12H,13,19H2,1-3H3
InChIKeyGZGWXFGNYXWJQZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide

N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide (PubChem CID 43275450) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
PubChem CID43275450
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
SMILESCN(C(=O)C(C)(C)c1ccccc1)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,15-7-5-4-6-8-15)17(21)20(3)16-11-9-14(13-19)10-12-16/h4-12H,13,19H2,1-3H3
InChIKeyGZGWXFGNYXWJQZ-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80555053
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
CID 103017349
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 82546856
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide (CID 43275450) is N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide is CN(C(=O)C(C)(C)c1ccccc1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide?
The InChIKey is GZGWXFGNYXWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,15-7-5-4-6-8-15)17(21)20(3)16-11-9-14(13-19)10-12-16/h4-12H,13,19H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide?
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide is sourced from PubChem (CID 43275450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).