(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine

C18H15ClFN — CID 81430281

IUPAC(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(Cl)c1F
InChIInChI=1S/C18H15ClFN/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10,18H,21H2,1H3
InChIKeyZAHSPRMMIQMKDA-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.99
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine

(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81430281) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81430281
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1ccc2ccccc2c1C(N)c1cccc(Cl)c1F
InChIInChI=1S/C18H15ClFN/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10,18H,21H2,1H3
InChIKeyZAHSPRMMIQMKDA-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

(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81480693
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 107096609
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
1-[bromo-(4-chloro-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 107992100

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine (CID 81430281) is (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine is Cc1ccc2ccccc2c1C(N)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is ZAHSPRMMIQMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10,18H,21H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine?
(3-chloro-2-fluorophenyl)-(2-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-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81430281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).