1-(3-ethoxyphenyl)-3-ethylheptan-1-amine

C17H29NO — CID 63414147

IUPAC1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
SMILESCCCCC(CC)CC(N)c1cccc(OCC)c1
InChIInChI=1S/C17H29NO/c1-4-7-9-14(5-2)12-17(18)15-10-8-11-16(13-15)19-6-3/h8,10-11,13-14,17H,4-7,9,12,18H2,1-3H3
InChIKeyLZVKSRHUCBKYCA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.69
Rot. Bonds9

About 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine

1-(3-ethoxyphenyl)-3-ethylheptan-1-amine (PubChem CID 63414147) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
PubChem CID63414147
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
SMILESCCCCC(CC)CC(N)c1cccc(OCC)c1
InChIInChI=1S/C17H29NO/c1-4-7-9-14(5-2)12-17(18)15-10-8-11-16(13-15)19-6-3/h8,10-11,13-14,17H,4-7,9,12,18H2,1-3H3
InChIKeyLZVKSRHUCBKYCA-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
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1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine (CID 63414147) is 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine is CCCCC(CC)CC(N)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine?
The InChIKey is LZVKSRHUCBKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-9-14(5-2)12-17(18)15-10-8-11-16(13-15)19-6-3/h8,10-11,13-14,17H,4-7,9,12,18H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine?
1-(3-ethoxyphenyl)-3-ethylheptan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-ethylheptan-1-amine is sourced from PubChem (CID 63414147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).