2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol

C13H21NO — CID 10889092

IUPAC2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NCCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(12-7-5-4-6-8-12)14-10-9-13(2,3)15/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyOAMKHXLUFCQTLD-NSHDSACASA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds5

About 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol

2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol (PubChem CID 10889092) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
PubChem CID10889092
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
SMILESC[C@H](NCCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(12-7-5-4-6-8-12)14-10-9-13(2,3)15/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyOAMKHXLUFCQTLD-NSHDSACASA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
CID 19928719
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2,2-dimethyl-4-[[(1S)-1-phenylethyl]amino]butanenitrile
CID 65252952
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
3-(1-phenylethylamino)propanoic acid
CID 2826777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol (CID 10889092) is 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol is C[C@H](NCCC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol?
The InChIKey is OAMKHXLUFCQTLD-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-11(12-7-5-4-6-8-12)14-10-9-13(2,3)15/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol?
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol is sourced from PubChem (CID 10889092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).