2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol

C13H21NO2 — CID 106508031

IUPAC2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
SMILESCCOCCC(CN)(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-2-16-9-8-13(10-14,11-15)12-6-4-3-5-7-12/h3-7,15H,2,8-11,14H2,1H3
InChIKeyOMHAFQBXNKEYRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds7

About 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol

2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol (PubChem CID 106508031) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
PubChem CID106508031
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
SMILESCCOCCC(CN)(CO)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-2-16-9-8-13(10-14,11-15)12-6-4-3-5-7-12/h3-7,15H,2,8-11,14H2,1H3
InChIKeyOMHAFQBXNKEYRL-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
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

5-ethoxy-2-ethyl-2-phenylpentan-1-amine
CID 65180695
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
CID 106505989
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
2-ethyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106456783
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-(aminomethyl)-4-(2-methoxyethoxy)-2-(4-methylphenyl)butan-1-ol
CID 106508588
2-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-(aminomethyl)-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 106508658
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
2-(aminomethyl)-2-(3-fluorophenyl)-4-(3-methoxypropoxy)butan-1-ol
CID 106507132

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol (CID 106508031) is 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol is CCOCCC(CN)(CO)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol?
The InChIKey is OMHAFQBXNKEYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-9-8-13(10-14,11-15)12-6-4-3-5-7-12/h3-7,15H,2,8-11,14H2,1H3.
What are the key properties of 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol?
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol is sourced from PubChem (CID 106508031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).