[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine

C18H29NO — CID 98033979

IUPAC[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C1(CN)CCCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-8-9-16(20-4)15(12-14)18(13-19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,13,19H2,1-4H3
InChIKeyBUGFHOVUFYBVRU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds3

About [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine

[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine (PubChem CID 98033979) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
PubChem CID98033979
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C(C)(C)C)cc1C1(CN)CCCCC1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-8-9-16(20-4)15(12-14)18(13-19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,13,19H2,1-4H3
InChIKeyBUGFHOVUFYBVRU-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[3-(5-tert-butyl-2-methoxyphenyl)oxetan-3-yl]methanamine
CID 116829597
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2-methoxy-5-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117408720
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
CID 117408247
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236

Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine (CID 98033979) is [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine is COc1ccc(C(C)(C)C)cc1C1(CN)CCCCC1.
What is the InChIKey of [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine?
The InChIKey is BUGFHOVUFYBVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)14-8-9-16(20-4)15(12-14)18(13-19)10-6-5-7-11-18/h8-9,12H,5-7,10-11,13,19H2,1-4H3.
What are the key properties of [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine?
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 98033979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).