(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol

C13H21NO — CID 28724030

IUPAC(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-12(9-15)14-11(3)13-8-6-5-7-10(13)2/h5-8,11-12,14-15H,4,9H2,1-3H3/t11-,12+/m0/s1
InChIKeyLDEDTURTMBVPBN-NWDGAFQWSA-N
MW207.32 g/mol
LogP2.42
Rot. Bonds5

About (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol

(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol (PubChem CID 28724030) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
PubChem CID28724030
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C13H21NO/c1-4-12(9-15)14-11(3)13-8-6-5-7-10(13)2/h5-8,11-12,14-15H,4,9H2,1-3H3/t11-,12+/m0/s1
InChIKeyLDEDTURTMBVPBN-NWDGAFQWSA-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

2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butan-1-ol
CID 43207134
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzene-1,3-diol
CID 107711318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol (CID 28724030) is (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol is CC[C@H](CO)N[C@@H](C)c1ccccc1C.
What is the InChIKey of (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol?
The InChIKey is LDEDTURTMBVPBN-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(9-15)14-11(3)13-8-6-5-7-10(13)2/h5-8,11-12,14-15H,4,9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol?
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-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 (2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 28724030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).