N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

C18H21ClFN — CID 43685470

IUPACN-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-12(2)18(15-6-10-17(20)11-7-15)21-13(3)14-4-8-16(19)9-5-14/h4-13,18,21H,1-3H3
InChIKeyISFCREDHPROUKL-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.53
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 43685470) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID43685470
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(NC(c1ccc(F)cc1)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-12(2)18(15-6-10-17(20)11-7-15)21-13(3)14-4-8-16(19)9-5-14/h4-13,18,21H,1-3H3
InChIKeyISFCREDHPROUKL-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43227005
1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685494
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
CID 43685504

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (CID 43685470) is N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is CC(NC(c1ccc(F)cc1)C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is ISFCREDHPROUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-12(2)18(15-6-10-17(20)11-7-15)21-13(3)14-4-8-16(19)9-5-14/h4-13,18,21H,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 43685470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).