[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine

C16H25NO — CID 82131016

IUPAC[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
SMILESCC(C)c1cccc(OC2(CN)CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)14-7-6-8-15(11-14)18-16(12-17)9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12,17H2,1-2H3
InChIKeyPVDPHIAATJMRMD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds4

About [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine

[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine (PubChem CID 82131016) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
PubChem CID82131016
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
SMILESCC(C)c1cccc(OC2(CN)CCCCC2)c1
InChIInChI=1S/C16H25NO/c1-13(2)14-7-6-8-15(11-14)18-16(12-17)9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12,17H2,1-2H3
InChIKeyPVDPHIAATJMRMD-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
1-(3-propan-2-ylphenoxy)cyclohexane-1-carboxamide
CID 82133114
2-methyl-N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273515
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
CID 94690530
[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 59174612
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420

Frequently Asked Questions

What is the IUPAC name of [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine (CID 82131016) is [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine is CC(C)c1cccc(OC2(CN)CCCCC2)c1.
What is the InChIKey of [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine?
The InChIKey is PVDPHIAATJMRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)14-7-6-8-15(11-14)18-16(12-17)9-4-3-5-10-16/h6-8,11,13H,3-5,9-10,12,17H2,1-2H3.
What are the key properties of [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine?
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82131016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).