[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine

C18H29NO — CID 81012051

IUPAC[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cccc(C2CC(C(C)(C)C)CCC2CN)c1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-9-8-14(12-19)17(11-15)13-6-5-7-16(10-13)20-4/h5-7,10,14-15,17H,8-9,11-12,19H2,1-4H3
InChIKeyYLIICSFRBRYKSN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.20
Rot. Bonds3

About [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine

[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 81012051) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
PubChem CID81012051
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1cccc(C2CC(C(C)(C)C)CCC2CN)c1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-9-8-14(12-19)17(11-15)13-6-5-7-16(10-13)20-4/h5-7,10,14-15,17H,8-9,11-12,19H2,1-4H3
InChIKeyYLIICSFRBRYKSN-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
[4-tert-butyl-2-(4-chlorophenyl)cyclohexyl]methanamine
CID 81012614
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
CID 81012914
[2-(3-phenoxyphenyl)cyclopropyl]methanamine
CID 62708512
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
[4-tert-butyl-2-(4-fluoro-2-methylphenyl)cyclohexyl]methanamine
CID 81011743

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine (CID 81012051) is [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine is COc1cccc(C2CC(C(C)(C)C)CCC2CN)c1.
What is the InChIKey of [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is YLIICSFRBRYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)15-9-8-14(12-19)17(11-15)13-6-5-7-16(10-13)20-4/h5-7,10,14-15,17H,8-9,11-12,19H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).