N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide

C17H21N3O — CID 43275421

IUPACN-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(C)c1cccc(C(=O)N(C)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H21N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,12,18H2,1-3H3
InChIKeyYWWMTLBSJJKUJZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide

N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide (PubChem CID 43275421) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
PubChem CID43275421
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(C)c1cccc(C(=O)N(C)c2ccc(CN)cc2)c1
InChIInChI=1S/C17H21N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,12,18H2,1-3H3
InChIKeyYWWMTLBSJJKUJZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 166362090
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(3-carbamothioylphenyl)-4-ethyl-N-methylbenzamide
CID 62970983
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide (CID 43275421) is N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide is CN(C)c1cccc(C(=O)N(C)c2ccc(CN)cc2)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is YWWMTLBSJJKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)15-9-7-13(12-18)8-10-15/h4-11H,12,18H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide?
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 43275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).