2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol

C13H20BrNO2 — CID 106508332

IUPAC2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
SMILESCCC(CN)(CO)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-2-13(9-15,10-16)7-8-17-12-5-3-11(14)4-6-12/h3-6,16H,2,7-10,15H2,1H3
InChIKeyWPSAQKCQOOZFLS-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.57
Rot. Bonds7

About 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol

2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol (PubChem CID 106508332) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
PubChem CID106508332
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
SMILESCCC(CN)(CO)CCOc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-2-13(9-15,10-16)7-8-17-12-5-3-11(14)4-6-12/h3-6,16H,2,7-10,15H2,1H3
InChIKeyWPSAQKCQOOZFLS-UHFFFAOYSA-N
XLogP2.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538
2-[2-(4-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450187
4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
CID 63507256
2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol
CID 106507913
2-[2-(4-bromophenoxy)ethyl]-2-propan-2-ylpropane-1,3-diol
CID 79450916
2,2-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 82138622
2-(aminomethyl)-2-ethyl-4-(3-methylbutoxy)butan-1-ol
CID 106508329
5-(4-chlorophenoxy)-2,2-diethylpentan-1-amine
CID 82138894
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
3-(4-bromophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64558336
1-bromo-4-(3,3,3-trifluoropropoxy)benzene
CID 22913802
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol (CID 106508332) is 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol is CCC(CN)(CO)CCOc1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol?
The InChIKey is WPSAQKCQOOZFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-2-13(9-15,10-16)7-8-17-12-5-3-11(14)4-6-12/h3-6,16H,2,7-10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol?
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol is sourced from PubChem (CID 106508332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).