[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine

C20H33N — CID 116544545

IUPAC[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C20H33N/c1-14(2)12-16-6-5-7-19(13-16)20(21)18-10-8-17(9-11-18)15(3)4/h5-7,13-15,17-18,20H,8-12,21H2,1-4H3
InChIKeyVTFRIPKWAJJNJF-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.35
Rot. Bonds5

About [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine

[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 116544545) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID116544545
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C20H33N/c1-14(2)12-16-6-5-7-19(13-16)20(21)18-10-8-17(9-11-18)15(3)4/h5-7,13-15,17-18,20H,8-12,21H2,1-4H3
InChIKeyVTFRIPKWAJJNJF-UHFFFAOYSA-N
XLogP5.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
(R)-cyclopropyl-[3-(methoxymethyl)phenyl]methanamine
CID 129411474
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine (CID 116544545) is [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine is CC(C)Cc1cccc(C(N)C2CCC(C(C)C)CC2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is VTFRIPKWAJJNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-14(2)12-16-6-5-7-19(13-16)20(21)18-10-8-17(9-11-18)15(3)4/h5-7,13-15,17-18,20H,8-12,21H2,1-4H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine?
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 116544545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).