2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol

C16H27NO3 — CID 106507913

IUPAC2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol
SMILESCOc1ccc(OCCC(CN)(CO)CC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-13(2)10-16(11-17,12-18)8-9-20-15-6-4-14(19-3)5-7-15/h4-7,13,18H,8-12,17H2,1-3H3
InChIKeyLKVHQBLBGYHCIP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.45
Rot. Bonds9

About 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol

2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol (PubChem CID 106507913) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol
PubChem CID106507913
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol
SMILESCOc1ccc(OCCC(CN)(CO)CC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-13(2)10-16(11-17,12-18)8-9-20-15-6-4-14(19-3)5-7-15/h4-7,13,18H,8-12,17H2,1-3H3
InChIKeyLKVHQBLBGYHCIP-UHFFFAOYSA-N
XLogP2.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450187
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
2-[2-(3-bromophenoxy)ethyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450543
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[3,3-bis(bromomethyl)-4-methylpentoxy]-4-methoxybenzene
CID 79456113
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
2-[(2-bromo-5-methoxyphenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 79450805
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol (CID 106507913) is 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol is COc1ccc(OCCC(CN)(CO)CC(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol?
The InChIKey is LKVHQBLBGYHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)10-16(11-17,12-18)8-9-20-15-6-4-14(19-3)5-7-15/h4-7,13,18H,8-12,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol?
2-(aminomethyl)-2-[2-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.45, 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-(4-methoxyphenoxy)ethyl]-4-methylpentan-1-ol is sourced from PubChem (CID 106507913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).