[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol

C15H26N2O2 — CID 107441950

IUPAC[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC(CN)C(C)C)cc1CO
InChIInChI=1S/C15H26N2O2/c1-4-19-15-6-5-14(7-12(15)10-18)17-9-13(8-16)11(2)3/h5-7,11,13,17-18H,4,8-10,16H2,1-3H3
InChIKeyIETXKLRMJJEACG-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.22
Rot. Bonds8

About [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol

[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol (PubChem CID 107441950) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol
PubChem CID107441950
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC(CN)C(C)C)cc1CO
InChIInChI=1S/C15H26N2O2/c1-4-19-15-6-5-14(7-12(15)10-18)17-9-13(8-16)11(2)3/h5-7,11,13,17-18H,4,8-10,16H2,1-3H3
InChIKeyIETXKLRMJJEACG-UHFFFAOYSA-N
XLogP2.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
N'-(3-ethoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441924
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol (CID 107441950) is [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCC(CN)C(C)C)cc1CO.
What is the InChIKey of [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol?
The InChIKey is IETXKLRMJJEACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-19-15-6-5-14(7-12(15)10-18)17-9-13(8-16)11(2)3/h5-7,11,13,17-18H,4,8-10,16H2,1-3H3.
What are the key properties of [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol?
[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol has a molecular weight of 266.38 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 107441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).