(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine

C17H13Cl2N — CID 79597376

IUPAC(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2N/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17H,20H2
InChIKeyIQMCFJCHVORRJU-UHFFFAOYSA-N
MW302.20 g/mol
LogP5.19
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine

(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine (PubChem CID 79597376) has the molecular formula C17H13Cl2N and a molecular weight of 302.20 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
PubChem CID79597376
Molecular FormulaC17H13Cl2N
Molecular Weight302.20 g/mol
Exact Mass301.04
IUPAC Name(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2N/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17H,20H2
InChIKeyIQMCFJCHVORRJU-UHFFFAOYSA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.20
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine (CID 79597376) is (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine is NC(c1cccc(Cl)c1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine?
The InChIKey is IQMCFJCHVORRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N/c18-12-5-3-4-11(10-12)17(20)15-8-9-16(19)14-7-2-1-6-13(14)15/h1-10,17H,20H2.
What are the key properties of (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine?
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine has a molecular weight of 302.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 79597376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).