N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine

C15H15ClFN — CID 43200174

IUPACN-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyPHSIACKLUVKPCP-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.33
Rot. Bonds4

About N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine

N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 43200174) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID43200174
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3
InChIKeyPHSIACKLUVKPCP-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
CID 29037552
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
1-(4-chloro-3-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 82889677
methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine (CID 43200174) is N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine is CC(NCc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is PHSIACKLUVKPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3.
What are the key properties of N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine?
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 43200174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).