(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine

C13H11Cl3N2 — CID 107560529

IUPAC(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2ncc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-7-2-3-8(4-10(7)15)12(17)13-11(16)5-9(14)6-18-13/h2-6,12H,17H2,1H3
InChIKeyYMPJQVDKYLFHCG-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.40
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine

(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine (PubChem CID 107560529) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
PubChem CID107560529
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2ncc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c1-7-2-3-8(4-10(7)15)12(17)13-11(16)5-9(14)6-18-13/h2-6,12H,17H2,1H3
InChIKeyYMPJQVDKYLFHCG-UHFFFAOYSA-N
XLogP4.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-pyridinyl)-(2,4-dimethylphenyl)methanamine
CID 79780865
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(3,5-dichloro-2-pyridinyl)-(1-ethylpyrazol-4-yl)methanamine
CID 79780955
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
(3-chloro-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027392
(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine (CID 107560529) is (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine is Cc1ccc(C(N)c2ncc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The InChIKey is YMPJQVDKYLFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-7-2-3-8(4-10(7)15)12(17)13-11(16)5-9(14)6-18-13/h2-6,12H,17H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine has a molecular weight of 301.60 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine is sourced from PubChem (CID 107560529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).