N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine

C18H27ClFN — CID 65399267

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C18H27ClFN/c1-2-11-21-18(14-7-5-3-4-6-8-14)12-15-9-10-16(20)13-17(15)19/h9-10,13-14,18,21H,2-8,11-12H2,1H3
InChIKeyWCVFNGWYINRRKC-UHFFFAOYSA-N
MW311.87 g/mol
LogP5.36
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine

N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine (PubChem CID 65399267) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
PubChem CID65399267
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C18H27ClFN/c1-2-11-21-18(14-7-5-3-4-6-8-14)12-15-9-10-16(20)13-17(15)19/h9-10,13-14,18,21H,2-8,11-12H2,1H3
InChIKeyWCVFNGWYINRRKC-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
N-[2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]propan-1-amine
CID 115337034
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine (CID 65399267) is N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Cl)C1CCCCCC1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine?
The InChIKey is WCVFNGWYINRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFN/c1-2-11-21-18(14-7-5-3-4-6-8-14)12-15-9-10-16(20)13-17(15)19/h9-10,13-14,18,21H,2-8,11-12H2,1H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine?
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine has a molecular weight of 311.87 g/mol, XLogP of 5.36, 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-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine is sourced from PubChem (CID 65399267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).