[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine

C18H29NO — CID 117441153

IUPAC[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C)ccc(C(C)C)c1C1(CN)CCCCC1
InChIInChI=1S/C18H29NO/c1-13(2)15-9-8-14(3)17(20-4)16(15)18(12-19)10-6-5-7-11-18/h8-9,13H,5-7,10-12,19H2,1-4H3
InChIKeyQDNRBJJZUUJKDY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds4

About [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine

[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine (PubChem CID 117441153) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
PubChem CID117441153
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
SMILESCOc1c(C)ccc(C(C)C)c1C1(CN)CCCCC1
InChIInChI=1S/C18H29NO/c1-13(2)15-9-8-14(3)17(20-4)16(15)18(12-19)10-6-5-7-11-18/h8-9,13H,5-7,10-12,19H2,1-4H3
InChIKeyQDNRBJJZUUJKDY-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine (CID 117441153) is [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine is COc1c(C)ccc(C(C)C)c1C1(CN)CCCCC1.
What is the InChIKey of [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine?
The InChIKey is QDNRBJJZUUJKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)15-9-8-14(3)17(20-4)16(15)18(12-19)10-6-5-7-11-18/h8-9,13H,5-7,10-12,19H2,1-4H3.
What are the key properties of [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine?
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).