[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine

C18H29NO — CID 81012063

IUPAC[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCC(C)Oc1ccc(C2CC(C)(C)CCC2CN)cc1
InChIInChI=1S/C18H29NO/c1-13(2)20-16-7-5-14(6-8-16)17-11-18(3,4)10-9-15(17)12-19/h5-8,13,15,17H,9-12,19H2,1-4H3
InChIKeyWVFQRJMLLJAEDV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds4

About [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine

[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine (PubChem CID 81012063) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
PubChem CID81012063
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCC(C)Oc1ccc(C2CC(C)(C)CCC2CN)cc1
InChIInChI=1S/C18H29NO/c1-13(2)20-16-7-5-14(6-8-16)17-11-18(3,4)10-9-15(17)12-19/h5-8,13,15,17H,9-12,19H2,1-4H3
InChIKeyWVFQRJMLLJAEDV-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409
[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81011753
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
4,4-dimethyl-2-(3-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 81013879
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
CID 104663423
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
[(3R,4R)-4-phenyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120765631
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine (CID 81012063) is [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine is CC(C)Oc1ccc(C2CC(C)(C)CCC2CN)cc1.
What is the InChIKey of [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The InChIKey is WVFQRJMLLJAEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)20-16-7-5-14(6-8-16)17-11-18(3,4)10-9-15(17)12-19/h5-8,13,15,17H,9-12,19H2,1-4H3.
What are the key properties of [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine?
[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).