(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine

C19H23NO — CID 106791150

IUPAC(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C19H23NO/c1-13-10-11-17(18(12-13)21-2)19(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-12,14,19H,5-7,20H2,1-2H3
InChIKeyCCVJVTJXBATKGS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.32
Rot. Bonds4

About (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine

(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine (PubChem CID 106791150) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
PubChem CID106791150
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C19H23NO/c1-13-10-11-17(18(12-13)21-2)19(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-12,14,19H,5-7,20H2,1-2H3
InChIKeyCCVJVTJXBATKGS-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105188852
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790265
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine (CID 106791150) is (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine is COc1cc(C)ccc1C(N)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine?
The InChIKey is CCVJVTJXBATKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-10-11-17(18(12-13)21-2)19(20)16-9-4-3-8-15(16)14-6-5-7-14/h3-4,8-12,14,19H,5-7,20H2,1-2H3.
What are the key properties of (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine?
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 106791150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).