N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

C18H21ClFN — CID 107988849

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H21ClFN/c1-3-10-21-18(11-14-6-4-13(2)5-7-14)15-8-9-16(19)17(20)12-15/h4-9,12,18,21H,3,10-11H2,1-2H3
InChIKeyGGHLYSWMEBDROU-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.07
Rot. Bonds6

About N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine

N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 107988849) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID107988849
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H21ClFN/c1-3-10-21-18(11-14-6-4-13(2)5-7-14)15-8-9-16(19)17(20)12-15/h4-9,12,18,21H,3,10-11H2,1-2H3
InChIKeyGGHLYSWMEBDROU-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[2-(4-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 107891629
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 107989076
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
[2-(4-chloro-3-fluorophenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 114013667

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine (CID 107988849) is N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GGHLYSWMEBDROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-10-21-18(11-14-6-4-13(2)5-7-14)15-8-9-16(19)17(20)12-15/h4-9,12,18,21H,3,10-11H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107988849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).