N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine

C16H24ClN — CID 82933059

IUPACN-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H24ClN/c1-12(2)18-11-16(13-5-3-4-6-13)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyXOJRYMCGEQOLHC-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine

N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine (PubChem CID 82933059) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
PubChem CID82933059
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C16H24ClN/c1-12(2)18-11-16(13-5-3-4-6-13)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3
InChIKeyXOJRYMCGEQOLHC-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
CID 110611742
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine (CID 82933059) is N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine is CC(C)NCC(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine?
The InChIKey is XOJRYMCGEQOLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(2)18-11-16(13-5-3-4-6-13)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,3-6,11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine?
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine has a molecular weight of 265.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine is sourced from PubChem (CID 82933059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).