[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine

C17H18ClN — CID 65017325

IUPAC[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
SMILESNCC1(c2ccccc2Cl)CC(c2ccccc2)C1
InChIInChI=1S/C17H18ClN/c18-16-9-5-4-8-15(16)17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2
InChIKeyQWQDGDLCNPVLQA-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.11
Rot. Bonds3

About [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine

[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine (PubChem CID 65017325) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
PubChem CID65017325
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
SMILESNCC1(c2ccccc2Cl)CC(c2ccccc2)C1
InChIInChI=1S/C17H18ClN/c18-16-9-5-4-8-15(16)17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2
InChIKeyQWQDGDLCNPVLQA-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine (CID 65017325) is [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine is NCC1(c2ccccc2Cl)CC(c2ccccc2)C1.
What is the InChIKey of [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine?
The InChIKey is QWQDGDLCNPVLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-16-9-5-4-8-15(16)17(12-19)10-14(11-17)13-6-2-1-3-7-13/h1-9,14H,10-12,19H2.
What are the key properties of [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine?
[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine has a molecular weight of 271.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine is sourced from PubChem (CID 65017325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).