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

C18H21ClFN — CID 102618617

IUPACN-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)c1ccccc1C
InChIInChI=1S/C18H21ClFN/c1-3-10-21-18(16-7-5-4-6-13(16)2)12-14-11-15(20)8-9-17(14)19/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyUNSLSGYCCRUVIZ-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.07
Rot. Bonds6

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

N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 102618617) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID102618617
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)c1ccccc1C
InChIInChI=1S/C18H21ClFN/c1-3-10-21-18(16-7-5-4-6-13(16)2)12-14-11-15(20)8-9-17(14)19/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyUNSLSGYCCRUVIZ-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

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 102622916
N-[2-(2-chloro-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102622832
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 102618617) is N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1Cl)c1ccccc1C.
What is the InChIKey of N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is UNSLSGYCCRUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-10-21-18(16-7-5-4-6-13(16)2)12-14-11-15(20)8-9-17(14)19/h4-9,11,18,21H,3,10,12H2,1-2H3.
What are the key properties of N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-chloro-5-fluorophenyl)-1-(2-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-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102618617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).