3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine

C12H15Cl2N — CID 81415877

IUPAC3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-2-8-9(6-12(8)15)7-3-4-10(13)11(14)5-7/h3-5,8-9,12H,2,6,15H2,1H3
InChIKeyBKFBHXBNXJOMND-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.83
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine

3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine (PubChem CID 81415877) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
PubChem CID81415877
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-2-8-9(6-12(8)15)7-3-4-10(13)11(14)5-7/h3-5,8-9,12H,2,6,15H2,1H3
InChIKeyBKFBHXBNXJOMND-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-(4-ethylphenyl)cyclobutan-1-amine
CID 81415991
3-(1,3-dihydro-2-benzofuran-5-yl)-2-ethylcyclobutan-1-amine
CID 81415628
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 19770015
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
[2-(3,4-dichlorophenyl)cyclobutyl]methanethiol
CID 174261126
2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine
CID 81416456
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine (CID 81415877) is 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine is CCC1C(N)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine?
The InChIKey is BKFBHXBNXJOMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-2-8-9(6-12(8)15)7-3-4-10(13)11(14)5-7/h3-5,8-9,12H,2,6,15H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine?
3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine has a molecular weight of 244.16 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine is sourced from PubChem (CID 81415877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).