2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol

C16H27NO — CID 113350165

IUPAC2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
SMILESCC(CO)CCCNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(15-9-5-4-6-10-15)17-11-7-8-14(3)12-18/h4-6,9-10,13-14,16-18H,7-8,11-12H2,1-3H3
InChIKeyJAPPIXAUAQDGGF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds8

About 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol

2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol (PubChem CID 113350165) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
PubChem CID113350165
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
SMILESCC(CO)CCCNC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(15-9-5-4-6-10-15)17-11-7-8-14(3)12-18/h4-6,9-10,13-14,16-18H,7-8,11-12H2,1-3H3
InChIKeyJAPPIXAUAQDGGF-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
(1R)-N-(2-methoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 93043964
2-methyl-N-(2-methylsulfanylethyl)-1-phenylpropan-1-amine
CID 60697107
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol (CID 113350165) is 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol is CC(CO)CCCNC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
The InChIKey is JAPPIXAUAQDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(15-9-5-4-6-10-15)17-11-7-8-14(3)12-18/h4-6,9-10,13-14,16-18H,7-8,11-12H2,1-3H3.
What are the key properties of 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol?
2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 113350165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).