N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine

C18H25NO — CID 106169746

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCC3=CCCC3)C2)c1
InChIInChI=1S/C18H25NO/c1-20-18-8-4-7-15(13-18)16-11-17(12-16)19-10-9-14-5-2-3-6-14/h4-5,7-8,13,16-17,19H,2-3,6,9-12H2,1H3
InChIKeyKFLVHODULGGJQS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 106169746) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
PubChem CID106169746
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCC3=CCCC3)C2)c1
InChIInChI=1S/C18H25NO/c1-20-18-8-4-7-15(13-18)16-11-17(12-16)19-10-9-14-5-2-3-6-14/h4-5,7-8,13,16-17,19H,2-3,6,9-12H2,1H3
InChIKeyKFLVHODULGGJQS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 43634059
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634072

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine (CID 106169746) is N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine is COc1cccc(C2CC(NCCC3=CCCC3)C2)c1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is KFLVHODULGGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-20-18-8-4-7-15(13-18)16-11-17(12-16)19-10-9-14-5-2-3-6-14/h4-5,7-8,13,16-17,19H,2-3,6,9-12H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 106169746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).