4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline

C15H17ClN2 — CID 61413469

IUPAC4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H17ClN2/c1-18(11-13-3-2-4-14(16)9-13)15-7-5-12(10-17)6-8-15/h2-9H,10-11,17H2,1H3
InChIKeyVKIDIJSLNQKRIA-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.44
Rot. Bonds4

About 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline

4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline (PubChem CID 61413469) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
PubChem CID61413469
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CN)cc1
InChIInChI=1S/C15H17ClN2/c1-18(11-13-3-2-4-14(16)9-13)15-7-5-12(10-17)6-8-15/h2-9H,10-11,17H2,1H3
InChIKeyVKIDIJSLNQKRIA-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
2-chloro-4-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948291
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
1-N-[(3-chlorophenyl)methyl]-1-N-methyl-4-nitrobenzene-1,3-diamine
CID 106751500
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline (CID 61413469) is 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline is CN(Cc1cccc(Cl)c1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline?
The InChIKey is VKIDIJSLNQKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-18(11-13-3-2-4-14(16)9-13)15-7-5-12(10-17)6-8-15/h2-9H,10-11,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline?
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline has a molecular weight of 260.77 g/mol, XLogP of 3.44, 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-methylaniline is sourced from PubChem (CID 61413469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).