3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol

C14H15ClN2O — CID 107733664

IUPAC3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
SMILESCN(c1cccc(O)c1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H15ClN2O/c1-17(10-4-2-5-11(18)8-10)14-7-3-6-13(15)12(14)9-16/h2-8,18H,9,16H2,1H3
InChIKeyZXJZFURDLNGMHH-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.27
Rot. Bonds3

About 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol

3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol (PubChem CID 107733664) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
PubChem CID107733664
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol
SMILESCN(c1cccc(O)c1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H15ClN2O/c1-17(10-4-2-5-11(18)8-10)14-7-3-6-13(15)12(14)9-16/h2-8,18H,9,16H2,1H3
InChIKeyZXJZFURDLNGMHH-UHFFFAOYSA-N
XLogP3.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
3-[2-(aminomethyl)-N-methyl-4-(trifluoromethyl)anilino]phenol
CID 107733662
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
3-[3-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 63567830
4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734220
4-(aminomethyl)-3-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734208
2-(aminomethyl)-3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 55124839
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]phenol
CID 107733688
2-bromo-6-(3-hydroxy-N-methylanilino)benzenecarbothioamide
CID 107735485
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol?
The IUPAC name of 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol (CID 107733664) is 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol.
What is the SMILES notation for 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol?
The canonical SMILES for 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol is CN(c1cccc(O)c1)c1cccc(Cl)c1CN.
What is the InChIKey of 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol?
The InChIKey is ZXJZFURDLNGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-17(10-4-2-5-11(18)8-10)14-7-3-6-13(15)12(14)9-16/h2-8,18H,9,16H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol?
3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol has a molecular weight of 262.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3-chloro-N-methylanilino]phenol is sourced from PubChem (CID 107733664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).