N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline

C15H17ClN2 — CID 117029123

IUPACN-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2cccc(CN)c2)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-11-6-7-14(9-15(11)16)18(2)13-5-3-4-12(8-13)10-17/h3-9H,10,17H2,1-2H3
InChIKeyNJVCNOYYZYQVBF-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.88
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline

N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline (PubChem CID 117029123) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
PubChem CID117029123
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
SMILESCc1ccc(N(C)c2cccc(CN)c2)cc1Cl
InChIInChI=1S/C15H17ClN2/c1-11-6-7-14(9-15(11)16)18(2)13-5-3-4-12(8-13)10-17/h3-9H,10,17H2,1-2H3
InChIKeyNJVCNOYYZYQVBF-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
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CID 117029128
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
N-[3-(aminomethyl)phenyl]-N,2-dimethyl-5-propan-2-ylaniline
CID 117041530
N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 55141369
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772652
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
3-chloro-N,N,4-trimethylaniline
CID 12637287

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline (CID 117029123) is N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline is Cc1ccc(N(C)c2cccc(CN)c2)cc1Cl.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline?
The InChIKey is NJVCNOYYZYQVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-6-7-14(9-15(11)16)18(2)13-5-3-4-12(8-13)10-17/h3-9H,10,17H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline?
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline has a molecular weight of 260.77 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline is sourced from PubChem (CID 117029123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).