(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol

C13H21NO — CID 102610095

IUPAC(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
SMILESCC(C)CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)9-14-13(10-15)8-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyJYLQDWWPODQHNZ-ZDUSSCGKSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol

(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol (PubChem CID 102610095) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
PubChem CID102610095
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
SMILESCC(C)CN[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(2)9-14-13(10-15)8-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1
InChIKeyJYLQDWWPODQHNZ-ZDUSSCGKSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
(2S)-2-[[4-[2-[bis[2-[bis[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]ethyl]amino]ethyl-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methylbutyl]amino]-2-methylbutyl]amino]-3-phenylpropan-1-ol
CID 102481876
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
CID 106989919
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol (CID 102610095) is (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol is CC(C)CN[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol?
The InChIKey is JYLQDWWPODQHNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)9-14-13(10-15)8-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol?
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102610095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).