1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine

C18H15ClFN — CID 63418657

IUPAC1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN/c19-16-10-14(8-9-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2
InChIKeyASIZNTXOAWETLZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.87
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine

1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine (PubChem CID 63418657) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
PubChem CID63418657
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFN/c19-16-10-14(8-9-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2
InChIKeyASIZNTXOAWETLZ-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
CID 62600642
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine (CID 63418657) is 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine is NC(Cc1cccc2ccccc12)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine?
The InChIKey is ASIZNTXOAWETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c19-16-10-14(8-9-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine?
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine has a molecular weight of 299.78 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 63418657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).