3-(4-chloro-2-cyclobutylphenyl)propan-1-amine

C13H18ClN — CID 145499027

IUPAC3-(4-chloro-2-cyclobutylphenyl)propan-1-amine
SMILESNCCCc1ccc(Cl)cc1C1CCC1
InChIInChI=1S/C13H18ClN/c14-12-7-6-11(5-2-8-15)13(9-12)10-3-1-4-10/h6-7,9-10H,1-5,8,15H2
InChIKeyIKWIGEDXTIHONM-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.50
Rot. Bonds4

About 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine

3-(4-chloro-2-cyclobutylphenyl)propan-1-amine (PubChem CID 145499027) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-cyclobutylphenyl)propan-1-amine
PubChem CID145499027
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name3-(4-chloro-2-cyclobutylphenyl)propan-1-amine
SMILESNCCCc1ccc(Cl)cc1C1CCC1
InChIInChI=1S/C13H18ClN/c14-12-7-6-11(5-2-8-15)13(9-12)10-3-1-4-10/h6-7,9-10H,1-5,8,15H2
InChIKeyIKWIGEDXTIHONM-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine?
The IUPAC name of 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine (CID 145499027) is 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine is NCCCc1ccc(Cl)cc1C1CCC1.
What is the InChIKey of 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine?
The InChIKey is IKWIGEDXTIHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-7-6-11(5-2-8-15)13(9-12)10-3-1-4-10/h6-7,9-10H,1-5,8,15H2.
What are the key properties of 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine?
3-(4-chloro-2-cyclobutylphenyl)propan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-cyclobutylphenyl)propan-1-amine is sourced from PubChem (CID 145499027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).