2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol

C20H35NO2 — CID 22618716

IUPAC2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol
SMILESCCCCCCCOc1ccccc1CCC(N)(CO)CCC
InChIInChI=1S/C20H35NO2/c1-3-5-6-7-10-16-23-19-12-9-8-11-18(19)13-15-20(21,17-22)14-4-2/h8-9,11-12,22H,3-7,10,13-17,21H2,1-2H3
InChIKeyUXVWURPLMMNMSW-UHFFFAOYSA-N
MW321.50 g/mol
LogP4.46
Rot. Bonds13

About 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol

2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol (PubChem CID 22618716) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol
PubChem CID22618716
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC Name2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol
SMILESCCCCCCCOc1ccccc1CCC(N)(CO)CCC
InChIInChI=1S/C20H35NO2/c1-3-5-6-7-10-16-23-19-12-9-8-11-18(19)13-15-20(21,17-22)14-4-2/h8-9,11-12,22H,3-7,10,13-17,21H2,1-2H3
InChIKeyUXVWURPLMMNMSW-UHFFFAOYSA-N
XLogP4.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.46
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-(2-pentoxyphenyl)ethanol
CID 91657515
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
(2-octoxyphenyl)methanol
CID 43128604
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-ethyl-2-heptoxybenzene
CID 22723794
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
2-amino-2-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol?
The IUPAC name of 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol (CID 22618716) is 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol is CCCCCCCOc1ccccc1CCC(N)(CO)CCC.
What is the InChIKey of 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol?
The InChIKey is UXVWURPLMMNMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-3-5-6-7-10-16-23-19-12-9-8-11-18(19)13-15-20(21,17-22)14-4-2/h8-9,11-12,22H,3-7,10,13-17,21H2,1-2H3.
What are the key properties of 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol?
2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol has a molecular weight of 321.50 g/mol, XLogP of 4.46, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2-heptoxyphenyl)ethyl]pentan-1-ol is sourced from PubChem (CID 22618716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).