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

C18H15ClFN — CID 82876904

IUPAC(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H15ClFN/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10,18H,21H2,1H3
InChIKeyRFKCYDJRNJQIIL-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.99
Rot. Bonds2

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

(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine (PubChem CID 82876904) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
PubChem CID82876904
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(Cl)c2)c2ccccc12
InChIInChI=1S/C18H15ClFN/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10,18H,21H2,1H3
InChIKeyRFKCYDJRNJQIIL-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine (CID 82876904) is (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine is Cc1ccc(C(N)c2ccc(F)c(Cl)c2)c2ccccc12.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine?
The InChIKey is RFKCYDJRNJQIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-11-6-8-15(14-5-3-2-4-13(11)14)18(21)12-7-9-17(20)16(19)10-12/h2-10,18H,21H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine?
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine has a molecular weight of 299.78 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 82876904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).