(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine

C13H10Cl3N — CID 115811895

IUPAC(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl3N/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H,17H2
InChIKeyAZBAXAUXQKBEJU-UHFFFAOYSA-N
MW286.59 g/mol
LogP4.69
Rot. Bonds2

About (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine

(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine (PubChem CID 115811895) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
PubChem CID115811895
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl3N/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H,17H2
InChIKeyAZBAXAUXQKBEJU-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(3-chlorophenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63555430
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(3-chlorophenyl)-(3,4-dimethyl-5-nitrophenyl)methanamine
CID 43825198
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
CID 130854534
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine (CID 115811895) is (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine is NC(c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine?
The InChIKey is AZBAXAUXQKBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13H,17H2.
What are the key properties of (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine?
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine has a molecular weight of 286.59 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3,5-dichlorophenyl)methanamine is sourced from PubChem (CID 115811895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).