1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol

C17H29NO — CID 60896684

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
SMILESCCCCCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-4-5-6-11-18-13-17(19)16-9-7-15(8-10-16)12-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyBEIDAWJRIVWPOC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds9

About 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol (PubChem CID 60896684) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
PubChem CID60896684
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
SMILESCCCCCNCC(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-4-5-6-11-18-13-17(19)16-9-7-15(8-10-16)12-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyBEIDAWJRIVWPOC-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
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-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]pentan-2-ol
CID 106130457
5-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-methylpentan-1-ol
CID 106160005
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
1-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]propan-2-ol
CID 60909721
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
1-[4-(2-methylpropyl)phenyl]-2-(prop-2-ynylamino)ethanol
CID 60903530
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
1-[4-(2-methylpropyl)phenyl]-2-(2,3,3-trimethylbutylamino)ethanol
CID 83142065
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
4-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-methylbutan-1-ol
CID 66091850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol (CID 60896684) is 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol is CCCCCNCC(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol?
The InChIKey is BEIDAWJRIVWPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-11-18-13-17(19)16-9-7-15(8-10-16)12-14(2)3/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol has a molecular weight of 263.43 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol is sourced from PubChem (CID 60896684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).