2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol

C18H29NO — CID 117441154

IUPAC2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C18H29NO/c1-4-14-8-9-15(13(2)3)16(17(14)20)18(12-19)10-6-5-7-11-18/h8-9,13,20H,4-7,10-12,19H2,1-3H3
InChIKeyYWAYVARWQSUCNM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol

2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol (PubChem CID 117441154) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
PubChem CID117441154
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C18H29NO/c1-4-14-8-9-15(13(2)3)16(17(14)20)18(12-19)10-6-5-7-11-18/h8-9,13,20H,4-7,10-12,19H2,1-3H3
InChIKeyYWAYVARWQSUCNM-UHFFFAOYSA-N
XLogP4.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
CID 117408731
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
1-[2-hydroxy-3,6-di(propan-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117489788
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol (CID 117441154) is 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol is CCc1ccc(C(C)C)c(C2(CN)CCCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol?
The InChIKey is YWAYVARWQSUCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-8-9-15(13(2)3)16(17(14)20)18(12-19)10-6-5-7-11-18/h8-9,13,20H,4-7,10-12,19H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol?
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol has a molecular weight of 275.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol is sourced from PubChem (CID 117441154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).