1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine

C18H31NO — CID 105022228

IUPAC1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cccc(OCC)c1
InChIInChI=1S/C18H31NO/c1-5-9-11-15(6-2)18(19-7-3)16-12-10-13-17(14-16)20-8-4/h10,12-15,18-19H,5-9,11H2,1-4H3
InChIKeyAREBQGMZAAHWKC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds10

About 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine

1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine (PubChem CID 105022228) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
PubChem CID105022228
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cccc(OCC)c1
InChIInChI=1S/C18H31NO/c1-5-9-11-15(6-2)18(19-7-3)16-12-10-13-17(14-16)20-8-4/h10,12-15,18-19H,5-9,11H2,1-4H3
InChIKeyAREBQGMZAAHWKC-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-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261
1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
CID 63414147
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine (CID 105022228) is 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine is CCCCC(CC)C(NCC)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine?
The InChIKey is AREBQGMZAAHWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-9-11-15(6-2)18(19-7-3)16-12-10-13-17(14-16)20-8-4/h10,12-15,18-19H,5-9,11H2,1-4H3.
What are the key properties of 1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine?
1-(3-ethoxyphenyl)-N,2-diethylhexan-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-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 105022228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).