(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine

C14H12Cl3NO — CID 43131038

IUPAC(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3
InChIKeyNKXZSHHPSAHUAT-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.70
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine

(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 43131038) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
PubChem CID43131038
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3
InChIKeyNKXZSHHPSAHUAT-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine (CID 43131038) is (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine is COc1ccc(C(N)c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is NKXZSHHPSAHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine?
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 316.62 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 43131038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).