N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine

C15H22ClN — CID 113489915

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
SMILESCC(CC1CCC1)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-11(10-13-6-5-7-13)17-12(2)14-8-3-4-9-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyPPPFYCBYTCBZBW-KIYNQFGBSA-N
MW251.80 g/mol
LogP4.57
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine (PubChem CID 113489915) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
PubChem CID113489915
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
SMILESCC(CC1CCC1)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-11(10-13-6-5-7-13)17-12(2)14-8-3-4-9-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyPPPFYCBYTCBZBW-KIYNQFGBSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine (CID 113489915) is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine is CC(CC1CCC1)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The InChIKey is PPPFYCBYTCBZBW-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(10-13-6-5-7-13)17-12(2)14-8-3-4-9-15(14)16/h3-4,8-9,11-13,17H,5-7,10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine has a molecular weight of 251.80 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine is sourced from PubChem (CID 113489915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).