(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol

C13H21NO — CID 93082647

IUPAC(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](N[C@@H](C)CO)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14-11(3)9-15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyMXSZTRCYEQJYIY-AAEUAGOBSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol

(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol (PubChem CID 93082647) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
PubChem CID93082647
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](N[C@@H](C)CO)c1ccc(C)cc1
InChIInChI=1S/C13H21NO/c1-4-13(14-11(3)9-15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyMXSZTRCYEQJYIY-AAEUAGOBSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-[1-(4-methylphenyl)propyl]nonan-2-amine
CID 43714881
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
CID 116534361
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol (CID 93082647) is (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol is CC[C@H](N[C@@H](C)CO)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol?
The InChIKey is MXSZTRCYEQJYIY-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(14-11(3)9-15)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol?
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol is sourced from PubChem (CID 93082647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).