(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine

C19H23N — CID 63079154

IUPAC(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCC2)cc1C
InChIInChI=1S/C19H23N/c1-14-9-10-16(13-15(14)2)18(20)19(11-6-12-19)17-7-4-3-5-8-17/h3-5,7-10,13,18H,6,11-12,20H2,1-2H3
InChIKeyLWBDJIYWTZWUAU-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.43
Rot. Bonds3

About (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine

(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine (PubChem CID 63079154) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
PubChem CID63079154
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCC2)cc1C
InChIInChI=1S/C19H23N/c1-14-9-10-16(13-15(14)2)18(20)19(11-6-12-19)17-7-4-3-5-8-17/h3-5,7-10,13,18H,6,11-12,20H2,1-2H3
InChIKeyLWBDJIYWTZWUAU-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine (CID 63079154) is (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine is Cc1ccc(C(N)C2(c3ccccc3)CCC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine?
The InChIKey is LWBDJIYWTZWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-9-10-16(13-15(14)2)18(20)19(11-6-12-19)17-7-4-3-5-8-17/h3-5,7-10,13,18H,6,11-12,20H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine?
(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine has a molecular weight of 265.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 63079154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).