3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine

C13H16ClN — CID 43632516

IUPAC3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN/c1-2-7-15-11-8-10(9-11)12-5-3-4-6-13(12)14/h2-6,10-11,15H,1,7-9H2
InChIKeyYUOIDYLGNIGDGI-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine

3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine (PubChem CID 43632516) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
PubChem CID43632516
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClN/c1-2-7-15-11-8-10(9-11)12-5-3-4-6-13(12)14/h2-6,10-11,15H,1,7-9H2
InChIKeyYUOIDYLGNIGDGI-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
3-chloro-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 68828873
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
CID 64545634
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
CID 79551184
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
CID 106333820
3-(2-chlorophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclobutan-1-amine
CID 81039527
3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 114183034

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine (CID 43632516) is 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine is C=CCNC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is YUOIDYLGNIGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-2-7-15-11-8-10(9-11)12-5-3-4-6-13(12)14/h2-6,10-11,15H,1,7-9H2.
What are the key properties of 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine?
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 221.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 43632516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).