2-(2-methylpentylamino)-3-phenylpropan-1-ol

C15H25NO — CID 63260515

IUPAC2-(2-methylpentylamino)-3-phenylpropan-1-ol
SMILESCCCC(C)CNC(CO)Cc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-7-13(2)11-16-15(12-17)10-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyBBSIGWRXBYKPRZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds8

About 2-(2-methylpentylamino)-3-phenylpropan-1-ol

2-(2-methylpentylamino)-3-phenylpropan-1-ol (PubChem CID 63260515) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-methylpentylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methylpentylamino)-3-phenylpropan-1-ol
PubChem CID63260515
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-methylpentylamino)-3-phenylpropan-1-ol
SMILESCCCC(C)CNC(CO)Cc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-7-13(2)11-16-15(12-17)10-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyBBSIGWRXBYKPRZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
(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
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
3-methyl-4-(1-phenylpropan-2-ylamino)butan-1-ol
CID 66090361
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-methylpentylamino)-3-phenylpropan-1-ol (CID 63260515) is 2-(2-methylpentylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-methylpentylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-methylpentylamino)-3-phenylpropan-1-ol is CCCC(C)CNC(CO)Cc1ccccc1.
What is the InChIKey of 2-(2-methylpentylamino)-3-phenylpropan-1-ol?
The InChIKey is BBSIGWRXBYKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-7-13(2)11-16-15(12-17)10-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3.
What are the key properties of 2-(2-methylpentylamino)-3-phenylpropan-1-ol?
2-(2-methylpentylamino)-3-phenylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63260515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).