1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol

C18H29NO2 — CID 63995477

IUPAC1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC1CCC(C)CC1C
InChIInChI=1S/C18H29NO2/c1-13-8-9-17(15(3)10-13)19-11-16(20)12-21-18-7-5-4-6-14(18)2/h4-7,13,15-17,19-20H,8-12H2,1-3H3
InChIKeyLSHGHGUXJNBZCF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.15
Rot. Bonds6

About 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 63995477) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID63995477
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC1CCC(C)CC1C
InChIInChI=1S/C18H29NO2/c1-13-8-9-17(15(3)10-13)19-11-16(20)12-21-18-7-5-4-6-14(18)2/h4-7,13,15-17,19-20H,8-12H2,1-3H3
InChIKeyLSHGHGUXJNBZCF-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276
1-(2-chlorophenoxy)-3-[(2,3-dimethylcyclopentyl)amino]propan-2-ol
CID 64909777
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-butoxyethoxy)-3-[(2,4-dimethylcyclohexyl)amino]propan-2-ol
CID 63994700
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 63995477) is 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNC1CCC(C)CC1C.
What is the InChIKey of 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is LSHGHGUXJNBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-8-9-17(15(3)10-13)19-11-16(20)12-21-18-7-5-4-6-14(18)2/h4-7,13,15-17,19-20H,8-12H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylcyclohexyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 63995477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).