4-methyl-2-(2-phenylpropylamino)pentan-1-ol

C15H25NO — CID 61246256

IUPAC4-methyl-2-(2-phenylpropylamino)pentan-1-ol
SMILESCC(C)CC(CO)NCC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)9-15(11-17)16-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyWSMHRRUGJZAPIL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds7

About 4-methyl-2-(2-phenylpropylamino)pentan-1-ol

4-methyl-2-(2-phenylpropylamino)pentan-1-ol (PubChem CID 61246256) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpropylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpropylamino)pentan-1-ol
PubChem CID61246256
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methyl-2-(2-phenylpropylamino)pentan-1-ol
SMILESCC(C)CC(CO)NCC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-12(2)9-15(11-17)16-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyWSMHRRUGJZAPIL-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
CID 114200183
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 45370794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpropylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(2-phenylpropylamino)pentan-1-ol (CID 61246256) is 4-methyl-2-(2-phenylpropylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(2-phenylpropylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(2-phenylpropylamino)pentan-1-ol is CC(C)CC(CO)NCC(C)c1ccccc1.
What is the InChIKey of 4-methyl-2-(2-phenylpropylamino)pentan-1-ol?
The InChIKey is WSMHRRUGJZAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)9-15(11-17)16-10-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3.
What are the key properties of 4-methyl-2-(2-phenylpropylamino)pentan-1-ol?
4-methyl-2-(2-phenylpropylamino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpropylamino)pentan-1-ol is sourced from PubChem (CID 61246256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).