[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine

C16H25NO — CID 82131027

IUPAC[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
SMILESCc1ccc(C)c(OC2(CN)CCCCC2)c1C
InChIInChI=1S/C16H25NO/c1-12-7-8-13(2)15(14(12)3)18-16(11-17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3
InChIKeyAUDHTQYNRTWBDT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.65
Rot. Bonds3

About [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine

[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine (PubChem CID 82131027) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
PubChem CID82131027
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
SMILESCc1ccc(C)c(OC2(CN)CCCCC2)c1C
InChIInChI=1S/C16H25NO/c1-12-7-8-13(2)15(14(12)3)18-16(11-17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3
InChIKeyAUDHTQYNRTWBDT-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(2-tert-butylphenoxy)cyclohexyl]methanamine
CID 82133148
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
CID 94690530
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine (CID 82131027) is [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine is Cc1ccc(C)c(OC2(CN)CCCCC2)c1C.
What is the InChIKey of [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
The InChIKey is AUDHTQYNRTWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-8-13(2)15(14(12)3)18-16(11-17)9-5-4-6-10-16/h7-8H,4-6,9-11,17H2,1-3H3.
What are the key properties of [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine?
[1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82131027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).