(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine

C17H12ClF2N — CID 82772989

IUPAC(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
SMILESNC(c1cc(F)c(Cl)cc1F)c1cccc2ccccc12
InChIInChI=1S/C17H12ClF2N/c18-14-9-15(19)13(8-16(14)20)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H,21H2
InChIKeyWGXXZTCQFLLKHT-UHFFFAOYSA-N
MW303.74 g/mol
LogP4.82
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine

(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine (PubChem CID 82772989) has the molecular formula C17H12ClF2N and a molecular weight of 303.74 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
PubChem CID82772989
Molecular FormulaC17H12ClF2N
Molecular Weight303.74 g/mol
Exact Mass303.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
SMILESNC(c1cc(F)c(Cl)cc1F)c1cccc2ccccc12
InChIInChI=1S/C17H12ClF2N/c18-14-9-15(19)13(8-16(14)20)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H,21H2
InChIKeyWGXXZTCQFLLKHT-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
4-[amino(naphthalen-1-yl)methyl]aniline
CID 116936837
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine (CID 82772989) is (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine is NC(c1cc(F)c(Cl)cc1F)c1cccc2ccccc12.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine?
The InChIKey is WGXXZTCQFLLKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N/c18-14-9-15(19)13(8-16(14)20)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H,21H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine?
(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine has a molecular weight of 303.74 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine is sourced from PubChem (CID 82772989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).