(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine

C20H25N — CID 114602556

IUPAC(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccccc2C2CCC2)cc1
InChIInChI=1S/C20H25N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-14,16,20H,5-7,21H2,1-2H3
InChIKeyPJNVBXJIRDVNGM-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.13
Rot. Bonds4

About (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine

(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 114602556) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID114602556
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccccc2C2CCC2)cc1
InChIInChI=1S/C20H25N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-14,16,20H,5-7,21H2,1-2H3
InChIKeyPJNVBXJIRDVNGM-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
CID 79983378
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine (CID 114602556) is (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2ccccc2C2CCC2)cc1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is PJNVBXJIRDVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-14,16,20H,5-7,21H2,1-2H3.
What are the key properties of (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine?
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 114602556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).