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

C13H21NO — CID 93288190

IUPAC(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
SMILESCC(C)[C@H](NC[C@H](C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-10(2)13(14-9-11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyQRWIKWTTYGMQCF-AAEUAGOBSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

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

(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol (PubChem CID 93288190) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
PubChem CID93288190
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
SMILESCC(C)[C@H](NC[C@H](C)O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-10(2)13(14-9-11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyQRWIKWTTYGMQCF-AAEUAGOBSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
2-methyl-N-(2-methylsulfinylpropyl)-1-phenylpropan-1-amine
CID 115898754
1-[benzyl(methyl)amino]-3-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 86882554
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
CID 115745130
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol (CID 93288190) is (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol is CC(C)[C@H](NC[C@H](C)O)c1ccccc1.
What is the InChIKey of (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol?
The InChIKey is QRWIKWTTYGMQCF-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13(14-9-11(3)15)12-7-5-4-6-8-12/h4-8,10-11,13-15H,9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol?
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol is sourced from PubChem (CID 93288190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).