1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol

C16H27NO2 — CID 81355468

IUPAC1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc([C@H](C)NCC(O)COCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)10-19-11-16(18)9-17-14(4)15-7-5-13(3)6-8-15/h5-8,12,14,16-18H,9-11H2,1-4H3/t14-,16?/m0/s1
InChIKeyGYXIFJUZVZXVSS-LBAUFKAWSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds8

About 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 81355468) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID81355468
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc([C@H](C)NCC(O)COCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)10-19-11-16(18)9-17-14(4)15-7-5-13(3)6-8-15/h5-8,12,14,16-18H,9-11H2,1-4H3/t14-,16?/m0/s1
InChIKeyGYXIFJUZVZXVSS-LBAUFKAWSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(4-methylpentoxy)propan-2-ol
CID 81356129
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 81355468) is 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccc([C@H](C)NCC(O)COCC(C)C)cc1.
What is the InChIKey of 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is GYXIFJUZVZXVSS-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)10-19-11-16(18)9-17-14(4)15-7-5-13(3)6-8-15/h5-8,12,14,16-18H,9-11H2,1-4H3/t14-,16?/m0/s1.
What are the key properties of 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 81355468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).