[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine

C18H31NO2 — CID 63498813

IUPAC[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
SMILESCCCCC(CC)COc1cc(OCCC)ccc1CN
InChIInChI=1S/C18H31NO2/c1-4-7-8-15(6-3)14-21-18-12-17(20-11-5-2)10-9-16(18)13-19/h9-10,12,15H,4-8,11,13-14,19H2,1-3H3
InChIKeyKVEPJQDBORTUGM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.53
Rot. Bonds11

About [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine

[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine (PubChem CID 63498813) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
PubChem CID63498813
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
SMILESCCCCC(CC)COc1cc(OCCC)ccc1CN
InChIInChI=1S/C18H31NO2/c1-4-7-8-15(6-3)14-21-18-12-17(20-11-5-2)10-9-16(18)13-19/h9-10,12,15H,4-8,11,13-14,19H2,1-3H3
InChIKeyKVEPJQDBORTUGM-UHFFFAOYSA-N
XLogP4.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
1-(chloromethyl)-2-(2-ethylhexoxy)-4-propoxybenzene
CID 63534849
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine (CID 63498813) is [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine is CCCCC(CC)COc1cc(OCCC)ccc1CN.
What is the InChIKey of [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine?
The InChIKey is KVEPJQDBORTUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-7-8-15(6-3)14-21-18-12-17(20-11-5-2)10-9-16(18)13-19/h9-10,12,15H,4-8,11,13-14,19H2,1-3H3.
What are the key properties of [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine?
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine has a molecular weight of 293.45 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 63498813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).