3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine

C16H25NO — CID 79618661

IUPAC3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCc1ccc(C(C)C)c(OC2CCCC(N)C2)c1
InChIInChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h7-9,11,13-14H,4-6,10,17H2,1-3H3
InChIKeyMHNROEKWDMAZOJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds3

About 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine

3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine (PubChem CID 79618661) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine
PubChem CID79618661
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine
SMILESCc1ccc(C(C)C)c(OC2CCCC(N)C2)c1
InChIInChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h7-9,11,13-14H,4-6,10,17H2,1-3H3
InChIKeyMHNROEKWDMAZOJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
CID 79643944
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465425
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine?
The IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine (CID 79618661) is 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine is Cc1ccc(C(C)C)c(OC2CCCC(N)C2)c1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine?
The InChIKey is MHNROEKWDMAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)15-8-7-12(3)9-16(15)18-14-6-4-5-13(17)10-14/h7-9,11,13-14H,4-6,10,17H2,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine?
3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 79618661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).