(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol

C16H28N2O — CID 70658760

IUPAC(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
SMILESCNC[C@H](O)CNC(C)(C)CCCc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,18-13-15(19)12-17-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-19H,7,10-13H2,1-3H3/t15-/m0/s1
InChIKeyMZKBDODBKYLACZ-HNNXBMFYSA-N
MW264.41 g/mol
LogP1.96
Rot. Bonds9

About (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol

(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol (PubChem CID 70658760) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
PubChem CID70658760
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
SMILESCNC[C@H](O)CNC(C)(C)CCCc1ccccc1
InChIInChI=1S/C16H28N2O/c1-16(2,18-13-15(19)12-17-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-19H,7,10-13H2,1-3H3/t15-/m0/s1
InChIKeyMZKBDODBKYLACZ-HNNXBMFYSA-N
XLogP1.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
3,4-difluoro-5-[1-hydroxy-2-[(2-methyl-5-phenylpentan-2-yl)amino]ethyl]benzoic acid
CID 68794383
(1S,1aS,6bR)-6-[(1R)-1-[(2R)-2-hydroxy-3-[(2-methyl-5-phenylpentan-2-yl)amino]propoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 122636663
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
(2R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]sulfanyl-methylamino]-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
CID 143905395
4-bromo-3-chloro-N-[2-hydroxy-3-[(2-methyl-5-phenylpentan-2-yl)amino]propyl]-N-methylbenzenesulfonamide
CID 67059592
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
3-[3,4-difluoro-5-[(1S)-1-hydroxy-2-[(2-methyl-6-phenylhexan-2-yl)amino]ethyl]phenyl]propanoic acid;hydrochloride
CID 57470586
3-[2-chloro-4-[[(2R)-2-hydroxy-3-[(2-methyl-5-phenylpentan-2-yl)amino]propyl]-methylsulfamoyl]phenyl]propanoic acid
CID 59162545
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
1-(3-phenylpropylamino)butan-2-ol
CID 60905255

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol (CID 70658760) is (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol is CNC[C@H](O)CNC(C)(C)CCCc1ccccc1.
What is the InChIKey of (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol?
The InChIKey is MZKBDODBKYLACZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,18-13-15(19)12-17-3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15,17-19H,7,10-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol?
(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 70658760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).