N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine

C17H18Cl2FN — CID 63527400

IUPACN-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H18Cl2FN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyGTHJFSMBELKONN-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.42
Rot. Bonds6

About N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine

N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 63527400) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID63527400
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H18Cl2FN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyGTHJFSMBELKONN-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[2-(4-chlorophenyl)-1-(2-methylsulfanylphenyl)ethyl]propan-1-amine
CID 79213464
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
N-[1-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63418437

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine (CID 63527400) is N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is GTHJFSMBELKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63527400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).