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

C17H13ClFN — CID 79597450

IUPAC(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13ClFN/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H,20H2
InChIKeyTVUVNXBRCFSSOX-UHFFFAOYSA-N
MW285.75 g/mol
LogP4.68
Rot. Bonds2

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

(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine (PubChem CID 79597450) has the molecular formula C17H13ClFN and a molecular weight of 285.75 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
PubChem CID79597450
Molecular FormulaC17H13ClFN
Molecular Weight285.75 g/mol
Exact Mass285.07
IUPAC Name(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13ClFN/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H,20H2
InChIKeyTVUVNXBRCFSSOX-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(4-bromo-3-chlorophenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 81291033
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105394656
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine (CID 79597450) is (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine?
The InChIKey is TVUVNXBRCFSSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN/c18-16-9-8-15(13-6-1-2-7-14(13)16)17(20)11-4-3-5-12(19)10-11/h1-10,17H,20H2.
What are the key properties of (4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine?
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine has a molecular weight of 285.75 g/mol, XLogP of 4.68, 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-fluorophenyl)methanamine is sourced from PubChem (CID 79597450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).