(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol

C12H19NO — CID 93082887

IUPAC(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc([C@@H](C)N[C@H](C)CO)cc1
InChIInChI=1S/C12H19NO/c1-9-4-6-12(7-5-9)11(3)13-10(2)8-14/h4-7,10-11,13-14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyIDLIMRICYQPUKG-GHMZBOCLSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds4

About (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol

(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol (PubChem CID 93082887) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
PubChem CID93082887
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
SMILESCc1ccc([C@@H](C)N[C@H](C)CO)cc1
InChIInChI=1S/C12H19NO/c1-9-4-6-12(7-5-9)11(3)13-10(2)8-14/h4-7,10-11,13-14H,8H2,1-3H3/t10-,11-/m1/s1
InChIKeyIDLIMRICYQPUKG-GHMZBOCLSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
CID 103389165
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
(2R)-2-[[(1R)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]propan-1-ol
CID 97323095
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol (CID 93082887) is (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol is Cc1ccc([C@@H](C)N[C@H](C)CO)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is IDLIMRICYQPUKG-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-6-12(7-5-9)11(3)13-10(2)8-14/h4-7,10-11,13-14H,8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol?
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 93082887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).