3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol

C16H27NO — CID 66003057

IUPAC3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
SMILESCC(C)CNCCC(C)(O)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)13-17-12-11-16(3,18)10-9-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyJBHNFAWLIZOGNJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds8

About 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol

3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol (PubChem CID 66003057) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
PubChem CID66003057
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
SMILESCC(C)CNCCC(C)(O)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)13-17-12-11-16(3,18)10-9-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3
InChIKeyJBHNFAWLIZOGNJ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
5-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 65305104
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol?
The IUPAC name of 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol (CID 66003057) is 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol.
What is the SMILES notation for 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol?
The canonical SMILES for 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol is CC(C)CNCCC(C)(O)CCc1ccccc1.
What is the InChIKey of 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol?
The InChIKey is JBHNFAWLIZOGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)13-17-12-11-16(3,18)10-9-15-7-5-4-6-8-15/h4-8,14,17-18H,9-13H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol?
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol is sourced from PubChem (CID 66003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).