2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol

C13H21NO — CID 94396195

IUPAC2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
SMILESCC[C@@H](NCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-12(14-10-13(2,3)15)11-8-6-5-7-9-11/h5-9,12,14-15H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyHPHNXEOQNBWJRD-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds5

About 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol

2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol (PubChem CID 94396195) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
PubChem CID94396195
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
SMILESCC[C@@H](NCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-12(14-10-13(2,3)15)11-8-6-5-7-9-11/h5-9,12,14-15H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyHPHNXEOQNBWJRD-GFCCVEGCSA-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-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681
2-methyl-1-[(2-methylsulfanyl-1-phenylethyl)amino]propan-2-ol
CID 111434426
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
2-methyl-2-morpholin-4-yl-N-(1-phenylpropyl)propan-1-amine
CID 43202117
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol (CID 94396195) is 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol is CC[C@@H](NCC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol?
The InChIKey is HPHNXEOQNBWJRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(14-10-13(2,3)15)11-8-6-5-7-9-11/h5-9,12,14-15H,4,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol?
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-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-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol is sourced from PubChem (CID 94396195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).