4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline

C16H19ClN2 — CID 61413515

IUPAC4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12-8-13(10-18)6-7-16(12)19(2)11-14-4-3-5-15(17)9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyDPQBLQPXZDMNHZ-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.74
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline (PubChem CID 61413515) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
PubChem CID61413515
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
SMILESCc1cc(CN)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-12-8-13(10-18)6-7-16(12)19(2)11-14-4-3-5-15(17)9-14/h3-9H,10-11,18H2,1-2H3
InChIKeyDPQBLQPXZDMNHZ-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
acetic acid;(3-chlorophenyl)methanamine
CID 174881740

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline (CID 61413515) is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline is Cc1cc(CN)ccc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline?
The InChIKey is DPQBLQPXZDMNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-8-13(10-18)6-7-16(12)19(2)11-14-4-3-5-15(17)9-14/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline?
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline has a molecular weight of 274.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 61413515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).