1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine

C18H28ClN — CID 45357527

IUPAC1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine
SMILESCC(C)CC(C(c1ccc(Cl)cc1)C1CCC1)N(C)C
InChIInChI=1S/C18H28ClN/c1-13(2)12-17(20(3)4)18(14-6-5-7-14)15-8-10-16(19)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyHZFIHVFSSKZOPH-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.20
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine

1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine (PubChem CID 45357527) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine
PubChem CID45357527
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC Name1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine
SMILESCC(C)CC(C(c1ccc(Cl)cc1)C1CCC1)N(C)C
InChIInChI=1S/C18H28ClN/c1-13(2)12-17(20(3)4)18(14-6-5-7-14)15-8-10-16(19)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyHZFIHVFSSKZOPH-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568908
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine
CID 134817223
2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
(2S)-2-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]piperidine;hydrochloride
CID 134817222

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine (CID 45357527) is 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine is CC(C)CC(C(c1ccc(Cl)cc1)C1CCC1)N(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine?
The InChIKey is HZFIHVFSSKZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-13(2)12-17(20(3)4)18(14-6-5-7-14)15-8-10-16(19)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine?
1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine has a molecular weight of 293.88 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclobutyl-N,N,4-trimethylpentan-2-amine is sourced from PubChem (CID 45357527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).