2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol

C15H25NO3 — CID 106506434

IUPAC2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
SMILESCCCC(CN)(CO)CCOc1ccccc1OC
InChIInChI=1S/C15H25NO3/c1-3-8-15(11-16,12-17)9-10-19-14-7-5-4-6-13(14)18-2/h4-7,17H,3,8-12,16H2,1-2H3
InChIKeyLZTGKNAOTNICRS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds9

About 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol

2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol (PubChem CID 106506434) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
PubChem CID106506434
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
SMILESCCCC(CN)(CO)CCOc1ccccc1OC
InChIInChI=1S/C15H25NO3/c1-3-8-15(11-16,12-17)9-10-19-14-7-5-4-6-13(14)18-2/h4-7,17H,3,8-12,16H2,1-2H3
InChIKeyLZTGKNAOTNICRS-UHFFFAOYSA-N
XLogP2.20
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
CID 106506403
1-[3-(bromomethyl)-3-ethylpentoxy]-2-methoxybenzene
CID 66050017
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
1-[3-(bromomethyl)-3-methylhexoxy]-2-methoxybenzene
CID 66050883
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
2-(aminomethyl)-2-(2-propoxyethyl)pentan-1-ol
CID 106506442
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 82138621
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol (CID 106506434) is 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol is CCCC(CN)(CO)CCOc1ccccc1OC.
What is the InChIKey of 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol?
The InChIKey is LZTGKNAOTNICRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-8-15(11-16,12-17)9-10-19-14-7-5-4-6-13(14)18-2/h4-7,17H,3,8-12,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol?
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol is sourced from PubChem (CID 106506434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).