N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine

C15H22ClN — CID 104866399

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
SMILESCC(CC1CCC1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(10-13-4-3-5-13)17-12(2)14-6-8-15(16)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t11?,12-/m1/s1
InChIKeyYDOGPJACKRXGOR-PIJUOVFKSA-N
MW251.80 g/mol
LogP4.57
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine (PubChem CID 104866399) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
PubChem CID104866399
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
SMILESCC(CC1CCC1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-11(10-13-4-3-5-13)17-12(2)14-6-8-15(16)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t11?,12-/m1/s1
InChIKeyYDOGPJACKRXGOR-PIJUOVFKSA-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

1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 114985854
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine (CID 104866399) is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine is CC(CC1CCC1)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
The InChIKey is YDOGPJACKRXGOR-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(10-13-4-3-5-13)17-12(2)14-6-8-15(16)9-7-14/h6-9,11-13,17H,3-5,10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine?
N-[(1R)-1-(4-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-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine is sourced from PubChem (CID 104866399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).