2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol

C15H25NO — CID 104930531

IUPAC2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
SMILESCc1ccccc1[C@H](C)NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO/c1-11(2)15(5,17)10-16-13(4)14-9-7-6-8-12(14)3/h6-9,11,13,16-17H,10H2,1-5H3/t13-,15?/m0/s1
InChIKeyKRRFZXRCHPJEBH-CFMCSPIPSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds5

About 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol

2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol (PubChem CID 104930531) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
PubChem CID104930531
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
SMILESCc1ccccc1[C@H](C)NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO/c1-11(2)15(5,17)10-16-13(4)14-9-7-6-8-12(14)3/h6-9,11,13,16-17H,10H2,1-5H3/t13-,15?/m0/s1
InChIKeyKRRFZXRCHPJEBH-CFMCSPIPSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
Ethanol, 2-(alpha-methylphenethyl)amino-
CID 45446
N-Benzyl-L-alaninol
CID 5356540
1-(Benzylamino)-2-methylpropan-2-ol
CID 12896476
1-(Benzylamino)propan-2-ol
CID 97731
(2S)-2-(benzylamino)butan-1-ol
CID 927305
3-(Benzylamino)butan-1-ol
CID 10464904
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
N-(2-methylbenzyl)butan-1-amine
CID 487836
2-(((1S)-1-phenylethyl)amino)ethan-1-ol
CID 2733847

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol (CID 104930531) is 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol is Cc1ccccc1[C@H](C)NCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
The InChIKey is KRRFZXRCHPJEBH-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)15(5,17)10-16-13(4)14-9-7-6-8-12(14)3/h6-9,11,13,16-17H,10H2,1-5H3/t13-,15?/m0/s1.
What are the key properties of 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol?
2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 104930531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).