[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol

C17H27NO2 — CID 79641071

IUPAC[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
SMILESCCC(C)c1ccccc1OC1CCCC(N)(CO)C1
InChIInChI=1S/C17H27NO2/c1-3-13(2)15-8-4-5-9-16(15)20-14-7-6-10-17(18,11-14)12-19/h4-5,8-9,13-14,19H,3,6-7,10-12,18H2,1-2H3
InChIKeyRLVNACRMZCTJCN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds5

About [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol

[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol (PubChem CID 79641071) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
PubChem CID79641071
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
SMILESCCC(C)c1ccccc1OC1CCCC(N)(CO)C1
InChIInChI=1S/C17H27NO2/c1-3-13(2)15-8-4-5-9-16(15)20-14-7-6-10-17(18,11-14)12-19/h4-5,8-9,13-14,19H,3,6-7,10-12,18H2,1-2H3
InChIKeyRLVNACRMZCTJCN-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
CID 107669171
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774
methyl 1-amino-3-(2-butan-2-ylphenoxy)cyclopentane-1-carboxylate
CID 79647954
[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
CID 79640484
(1-amino-3-quinolin-8-yloxycyclohexyl)methanol
CID 79640420
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
3-(2-butan-2-ylphenoxy)cyclobutan-1-one
CID 66368034
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
1-amino-3-(2-ethoxyphenoxy)cyclohexane-1-carboxamide
CID 79637862
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 114341276
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol (CID 79641071) is [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol is CCC(C)c1ccccc1OC1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol?
The InChIKey is RLVNACRMZCTJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13(2)15-8-4-5-9-16(15)20-14-7-6-10-17(18,11-14)12-19/h4-5,8-9,13-14,19H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol?
[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol is sourced from PubChem (CID 79641071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).