2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol

C14H23NO — CID 65108155

IUPAC2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
SMILESCCC(C)(O)CNC(C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-14(3,16)11-15-12(2)10-13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3
InChIKeyMDBKUKIRNHNYDG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds6

About 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol

2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol (PubChem CID 65108155) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
PubChem CID65108155
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
SMILESCCC(C)(O)CNC(C)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-14(3,16)11-15-12(2)10-13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3
InChIKeyMDBKUKIRNHNYDG-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
CID 106145228
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol (CID 65108155) is 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol is CCC(C)(O)CNC(C)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol?
The InChIKey is MDBKUKIRNHNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(3,16)11-15-12(2)10-13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3.
What are the key properties of 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol?
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol is sourced from PubChem (CID 65108155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).