2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol

C17H29NO2 — CID 82313925

IUPAC2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
SMILESCCCCCCNC(CC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-13-18-16(5-2)17(19)14-9-11-15(20-3)12-10-14/h9-12,16-19H,4-8,13H2,1-3H3
InChIKeyMEONMCPPWKJJJY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.68
Rot. Bonds10

About 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol

2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol (PubChem CID 82313925) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
PubChem CID82313925
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
SMILESCCCCCCNC(CC)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-13-18-16(5-2)17(19)14-9-11-15(20-3)12-10-14/h9-12,16-19H,4-8,13H2,1-3H3
InChIKeyMEONMCPPWKJJJY-UHFFFAOYSA-N
XLogP3.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
N,N'-dihexyl-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 45262997
2-(butylamino)-1-naphthalen-2-ylbutan-1-ol
CID 82313363
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
CID 82348400
methyl 4-hydroxy-3-(3-hydroxypropylamino)-4-(4-methoxyphenyl)butanoate
CID 82348348
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
4-hydroxy-4-(4-methoxyphenyl)-3-(3-methoxypropylamino)butanoic acid
CID 82348304
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol (CID 82313925) is 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol is CCCCCCNC(CC)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol?
The InChIKey is MEONMCPPWKJJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-8-13-18-16(5-2)17(19)14-9-11-15(20-3)12-10-14/h9-12,16-19H,4-8,13H2,1-3H3.
What are the key properties of 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol?
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 82313925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).