1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine

C17H26ClN — CID 70256858

IUPAC1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine
SMILESCCN(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-4-19(13-10-14(2)3)17(11-5-12-17)15-6-8-16(18)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyNOKLQVOBAJTPFL-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.09
Rot. Bonds6

About 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine

1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine (PubChem CID 70256858) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine
PubChem CID70256858
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine
SMILESCCN(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-4-19(13-10-14(2)3)17(11-5-12-17)15-6-8-16(18)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyNOKLQVOBAJTPFL-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N,N-diethylcyclohexan-1-amine;hydrochloride
CID 165361754
1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
CID 21270241
1-(4-chlorophenyl)-4-N-ethyl-4-N-methyl-1-N,1-N-dipropylcyclohexane-1,4-diamine
CID 54164676
1-(4-chlorophenyl)-N,N-diethyl-3-methylcyclohexan-1-amine;morpholine
CID 70511556
1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclobutan-1-amine
CID 23292607
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
CID 91613724
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
1-chloro-4-[1-(2-methyldecan-4-yl)cyclobutyl]benzene
CID 90899911
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
CID 69304082
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine;hydrochloride
CID 21270221
3-[1-(4-chlorophenyl)cyclobutyl]-5-methylhexan-1-amine;2-methylpropane
CID 143085896

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine (CID 70256858) is 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine is CCN(CCC(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine?
The InChIKey is NOKLQVOBAJTPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-19(13-10-14(2)3)17(11-5-12-17)15-6-8-16(18)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine?
1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-N-(3-methylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 70256858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).