1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol

C17H27NO2 — CID 63278408

IUPAC1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC2CCCC2C)c1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)20-11-15(19)10-18-17-6-4-5-14(17)3/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3
InChIKeyAKJKHHWZWJMIEN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds6

About 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol

1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol (PubChem CID 63278408) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
PubChem CID63278408
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC2CCCC2C)c1
InChIInChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)20-11-15(19)10-18-17-6-4-5-14(17)3/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3
InChIKeyAKJKHHWZWJMIEN-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
(2R)-1-(3,5-dimethylphenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7120901
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60897023
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol (CID 63278408) is 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol is Cc1cc(C)cc(OCC(O)CNC2CCCC2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is AKJKHHWZWJMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-13(2)9-16(8-12)20-11-15(19)10-18-17-6-4-5-14(17)3/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol?
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 63278408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).