3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine

C15H23N — CID 81417795

IUPAC3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(C)c(C)c2)C1C
InChIInChI=1S/C15H23N/c1-5-16-15-9-14(12(15)4)13-7-6-10(2)11(3)8-13/h6-8,12,14-16H,5,9H2,1-4H3
InChIKeyBEQKXFAHCWXSRP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine

3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine (PubChem CID 81417795) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
PubChem CID81417795
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(C)c(C)c2)C1C
InChIInChI=1S/C15H23N/c1-5-16-15-9-14(12(15)4)13-7-6-10(2)11(3)8-13/h6-8,12,14-16H,5,9H2,1-4H3
InChIKeyBEQKXFAHCWXSRP-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
N-ethyl-3-(9H-fluoren-2-yl)-2-methylcyclobutan-1-amine
CID 81417064
N-ethyl-3-(3-fluoro-4-methylsulfonylphenyl)-2-methylcyclobutan-1-amine
CID 81417899
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81418202
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
CID 107355526
3-(4-chlorophenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64908122
4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene
CID 64910350
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
5-[[2-(3,4-dimethylphenyl)cyclopropyl]amino]-5-oxopentanoic acid
CID 154861303

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine (CID 81417795) is 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine is CCNC1CC(c2ccc(C)c(C)c2)C1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is BEQKXFAHCWXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-16-15-9-14(12(15)4)13-7-6-10(2)11(3)8-13/h6-8,12,14-16H,5,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine?
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81417795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).