(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine

C17H12Cl2FN — CID 107998798

IUPAC(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H12Cl2FN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2
InChIKeyLDOBCEXBISCGDJ-UHFFFAOYSA-N
MW320.19 g/mol
LogP5.33
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine

(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine (PubChem CID 107998798) has the molecular formula C17H12Cl2FN and a molecular weight of 320.19 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
PubChem CID107998798
Molecular FormulaC17H12Cl2FN
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H12Cl2FN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2
InChIKeyLDOBCEXBISCGDJ-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.19
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine (CID 107998798) is (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine is NC(c1ccc(Cl)c(F)c1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine?
The InChIKey is LDOBCEXBISCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN/c18-14-8-6-13(11-3-1-2-4-12(11)14)17(21)10-5-7-15(19)16(20)9-10/h1-9,17H,21H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine?
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine has a molecular weight of 320.19 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine is sourced from PubChem (CID 107998798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).