1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine

C18H31NO — CID 82923027

IUPAC1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccccc1OCC
InChIInChI=1S/C18H31NO/c1-5-13-19-17(14-15(6-2)7-3)16-11-9-10-12-18(16)20-8-4/h9-12,15,17,19H,5-8,13-14H2,1-4H3
InChIKeyFEWSJRLENATSMS-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds10

About 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine

1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine (PubChem CID 82923027) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
PubChem CID82923027
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1ccccc1OCC
InChIInChI=1S/C18H31NO/c1-5-13-19-17(14-15(6-2)7-3)16-11-9-10-12-18(16)20-8-4/h9-12,15,17,19H,5-8,13-14H2,1-4H3
InChIKeyFEWSJRLENATSMS-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(2-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine (CID 82923027) is 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
The InChIKey is FEWSJRLENATSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-13-19-17(14-15(6-2)7-3)16-11-9-10-12-18(16)20-8-4/h9-12,15,17,19H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine?
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine is sourced from PubChem (CID 82923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).