1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H24ClNO2 — CID 81353301

IUPAC1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESC[C@H](NCC(O)COC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c1-11(12-5-7-13(16)8-6-12)17-9-14(18)10-19-15(2,3)4/h5-8,11,14,17-18H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyXRLPEKZCWVZGDT-ZSOXZCCMSA-N
MW285.81 g/mol
LogP3.17
Rot. Bonds6

About 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 81353301) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID81353301
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESC[C@H](NCC(O)COC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO2/c1-11(12-5-7-13(16)8-6-12)17-9-14(18)10-19-15(2,3)4/h5-8,11,14,17-18H,9-10H2,1-4H3/t11-,14?/m0/s1
InChIKeyXRLPEKZCWVZGDT-ZSOXZCCMSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(4-methylpentoxy)propan-2-ol
CID 81356129
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 81353301) is 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is C[C@H](NCC(O)COC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is XRLPEKZCWVZGDT-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-11(12-5-7-13(16)8-6-12)17-9-14(18)10-19-15(2,3)4/h5-8,11,14,17-18H,9-10H2,1-4H3/t11-,14?/m0/s1.
What are the key properties of 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 285.81 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 81353301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).