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

C17H25ClFN — CID 107892244

IUPACN-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCC1
InChIInChI=1S/C17H25ClFN/c1-3-10-20-16(17(2)8-4-5-9-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyVVXZFHMIGYDCHZ-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.97
Rot. Bonds6

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

N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 107892244) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID107892244
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCC1
InChIInChI=1S/C17H25ClFN/c1-3-10-20-16(17(2)8-4-5-9-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyVVXZFHMIGYDCHZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 107891871
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
2-(4-chloro-3-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 107891760
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (CID 107892244) is N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(F)c1)C1(C)CCCC1.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is VVXZFHMIGYDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-10-20-16(17(2)8-4-5-9-17)12-13-6-7-14(18)15(19)11-13/h6-7,11,16,20H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 107892244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).