(3,5-dichloro-2-methylphenyl)methanamine

C8H9Cl2N — CID 121228387

IUPAC(3,5-dichloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C8H9Cl2N/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3
InChIKeyHLWDPAGXTBNODX-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.76
Rot. Bonds1

About (3,5-dichloro-2-methylphenyl)methanamine

(3,5-dichloro-2-methylphenyl)methanamine (PubChem CID 121228387) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is (3,5-dichloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-methylphenyl)methanamine
PubChem CID121228387
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name(3,5-dichloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C8H9Cl2N/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3
InChIKeyHLWDPAGXTBNODX-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(3-chloro-2-methyl-5-nitrophenyl)methanamine
CID 130778123
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
[3-[2-(aminomethyl)-5-chloro-3-fluorophenyl]-5-chloro-2-methylphenyl]methanamine
CID 123483002
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine
CID 118665237
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methylphenyl)methanamine?
The IUPAC name of (3,5-dichloro-2-methylphenyl)methanamine (CID 121228387) is (3,5-dichloro-2-methylphenyl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-methylphenyl)methanamine?
The canonical SMILES for (3,5-dichloro-2-methylphenyl)methanamine is Cc1c(Cl)cc(Cl)cc1CN.
What is the InChIKey of (3,5-dichloro-2-methylphenyl)methanamine?
The InChIKey is HLWDPAGXTBNODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-5-6(4-11)2-7(9)3-8(5)10/h2-3H,4,11H2,1H3.
What are the key properties of (3,5-dichloro-2-methylphenyl)methanamine?
(3,5-dichloro-2-methylphenyl)methanamine has a molecular weight of 190.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methylphenyl)methanamine is sourced from PubChem (CID 121228387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).