(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine

C17H12Cl3N — CID 79592111

IUPAC(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H12Cl3N/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyVBHSQSCIJWQAFD-UHFFFAOYSA-N
MW336.65 g/mol
LogP5.85
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine

(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine (PubChem CID 79592111) has the molecular formula C17H12Cl3N and a molecular weight of 336.65 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
PubChem CID79592111
Molecular FormulaC17H12Cl3N
Molecular Weight336.65 g/mol
Exact Mass335.00
IUPAC Name(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc(Cl)ccc1Cl)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H12Cl3N/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2
InChIKeyVBHSQSCIJWQAFD-UHFFFAOYSA-N
XLogP5.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine (CID 79592111) is (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine is NC(c1cc(Cl)ccc1Cl)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is VBHSQSCIJWQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H,21H2.
What are the key properties of (4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine?
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 336.65 g/mol, XLogP of 5.85, 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)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 79592111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).