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

C16H27NO3 — CID 106506403

IUPAC2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
SMILESCCCC(CN)(CO)CCOc1ccccc1OCC
InChIInChI=1S/C16H27NO3/c1-3-9-16(12-17,13-18)10-11-20-15-8-6-5-7-14(15)19-4-2/h5-8,18H,3-4,9-13,17H2,1-2H3
InChIKeyJNXHIXCDGVDXPC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.59
Rot. Bonds10

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

2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol (PubChem CID 106506403) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
PubChem CID106506403
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol
SMILESCCCC(CN)(CO)CCOc1ccccc1OCC
InChIInChI=1S/C16H27NO3/c1-3-9-16(12-17,13-18)10-11-20-15-8-6-5-7-14(15)19-4-2/h5-8,18H,3-4,9-13,17H2,1-2H3
InChIKeyJNXHIXCDGVDXPC-UHFFFAOYSA-N
XLogP2.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
4-(2-ethoxyphenoxy)-2,2-dimethylbutan-1-ol
CID 66024501
methyl 2-(aminomethyl)-4-(2-ethoxyphenoxy)-2-methylbutanoate
CID 106487877
2-(aminomethyl)-2-(2-propoxyethyl)pentan-1-ol
CID 106506442
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
2-ethoxyaniline;propan-2-one
CID 517004

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol (CID 106506403) is 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol is CCCC(CN)(CO)CCOc1ccccc1OCC.
What is the InChIKey of 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol?
The InChIKey is JNXHIXCDGVDXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-9-16(12-17,13-18)10-11-20-15-8-6-5-7-14(15)19-4-2/h5-8,18H,3-4,9-13,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol?
2-(aminomethyl)-2-[2-(2-ethoxyphenoxy)ethyl]pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.59, 10 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-ethoxyphenoxy)ethyl]pentan-1-ol is sourced from PubChem (CID 106506403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).