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

C20H31N — CID 114603457

IUPAC(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)C1CCC(C(N)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C20H31N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-9,14-17,20H,5-7,10-13,21H2,1-2H3
InChIKeyCMDZRFPBDWZJGT-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.42
Rot. Bonds4

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

(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 114603457) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID114603457
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)C1CCC(C(N)c2ccccc2C2CCC2)CC1
InChIInChI=1S/C20H31N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-9,14-17,20H,5-7,10-13,21H2,1-2H3
InChIKeyCMDZRFPBDWZJGT-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
CID 105052437
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
CID 114603352
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 114603817
(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 79977858

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine (CID 114603457) is (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine is CC(C)C1CCC(C(N)c2ccccc2C2CCC2)CC1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is CMDZRFPBDWZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)15-10-12-17(13-11-15)20(21)19-9-4-3-8-18(19)16-6-5-7-16/h3-4,8-9,14-17,20H,5-7,10-13,21H2,1-2H3.
What are the key properties of (2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine?
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 285.47 g/mol, XLogP of 5.42, 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-ylcyclohexyl)methanamine is sourced from PubChem (CID 114603457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).