[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol

C29H45NO2 — CID 86745967

IUPAC[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol
SMILESCCCCCCCCCCCCCCOc1ccc(CCNc2ccccc2CO)cc1
InChIInChI=1S/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-32-28-20-18-26(19-21-28)22-23-30-29-17-14-13-16-27(29)25-31/h13-14,16-21,30-31H,2-12,15,22-25H2,1H3
InChIKeyFTNIJVYXPOFYSF-UHFFFAOYSA-N
MW439.68 g/mol
LogP7.91
Rot. Bonds19

About [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol

[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol (PubChem CID 86745967) has the molecular formula C29H45NO2 and a molecular weight of 439.68 g/mol. Its IUPAC name is [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol
PubChem CID86745967
Molecular FormulaC29H45NO2
Molecular Weight439.68 g/mol
Exact Mass439.35
IUPAC Name[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol
SMILESCCCCCCCCCCCCCCOc1ccc(CCNc2ccccc2CO)cc1
InChIInChI=1S/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-32-28-20-18-26(19-21-28)22-23-30-29-17-14-13-16-27(29)25-31/h13-14,16-21,30-31H,2-12,15,22-25H2,1H3
InChIKeyFTNIJVYXPOFYSF-UHFFFAOYSA-N
XLogP7.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.68
LogP ≤ 57.91
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

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CID 91256527
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CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
2-[2-(4-decoxyphenyl)ethyl]benzoic acid
CID 67616913
4-hexoxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54798890
2-(2-nonylanilino)ethanol
CID 160982770
N-[(4-hexoxyphenyl)methyl]-2-propan-2-ylaniline
CID 54800428
2-[2-[(4-octoxyphenyl)methoxy]phenyl]ethanol
CID 139712721
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol?
The IUPAC name of [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol (CID 86745967) is [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol is CCCCCCCCCCCCCCOc1ccc(CCNc2ccccc2CO)cc1.
What is the InChIKey of [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol?
The InChIKey is FTNIJVYXPOFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-32-28-20-18-26(19-21-28)22-23-30-29-17-14-13-16-27(29)25-31/h13-14,16-21,30-31H,2-12,15,22-25H2,1H3.
What are the key properties of [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol?
[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol has a molecular weight of 439.68 g/mol, XLogP of 7.91, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 86745967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).