4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine

C18H29N — CID 63401399

IUPAC4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2CC(C(C)(C)C)CCC2N)cc1
InChIInChI=1S/C18H29N/c1-13-5-7-14(8-6-13)11-15-12-16(18(2,3)4)9-10-17(15)19/h5-8,15-17H,9-12,19H2,1-4H3
InChIKeyQGDDFKIOECLXQH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.33
Rot. Bonds2

About 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63401399) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID63401399
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2CC(C(C)(C)C)CCC2N)cc1
InChIInChI=1S/C18H29N/c1-13-5-7-14(8-6-13)11-15-12-16(18(2,3)4)9-10-17(15)19/h5-8,15-17H,9-12,19H2,1-4H3
InChIKeyQGDDFKIOECLXQH-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 63401667
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245
4-tert-butyl-2-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 63461998
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 55193773
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-fluorobenzene
CID 63459697
1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 63473186
4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
CID 62611169
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674063

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine (CID 63401399) is 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(CC2CC(C(C)(C)C)CCC2N)cc1.
What is the InChIKey of 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is QGDDFKIOECLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-5-7-14(8-6-13)11-15-12-16(18(2,3)4)9-10-17(15)19/h5-8,15-17H,9-12,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63401399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).