(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol

C13H27NO2 — CID 140917609

IUPAC(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COCC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyPBHOOMRZFUTICT-CYBMUJFWSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 140917609) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID140917609
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COCC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyPBHOOMRZFUTICT-CYBMUJFWSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-(isopropylamino)-3-(p-menth-3-yloxy)-, hydrochloride
CID 209610
[2-Hydroxy-3-(propan-2-ylamino)propyl] cyclohexanecarboxylate
CID 44371537
2-Propanol, 1-[(1-methylethyl)amino]-3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
CID 209611
1-[(4-Tert-butylcyclohexyl)oxy]-3-(isopropylamino)-2-propanol hydrochloride
CID 2882067
(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 6591527
1-(2-Hydroxyethylamino)-3-(16-methylheptadecoxy)propan-2-ol
CID 22321191
1-(2-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173979
1-(2-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632467
1-(4-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632509
1-(2-Ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632510
1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-(2-Ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632637

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol (CID 140917609) is (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COCC1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is PBHOOMRZFUTICT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 140917609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).