(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine

C14H12Cl3N — CID 81323932

IUPAC(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3
InChIKeySPQWVWHKBWEGKA-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.00
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine

(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 81323932) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
PubChem CID81323932
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3
InChIKeySPQWVWHKBWEGKA-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine (CID 81323932) is (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine is Cc1cc(Cl)cc(C(N)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is SPQWVWHKBWEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine?
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 300.62 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 81323932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).