1-(4-ethoxyphenyl)-N-propyloctan-1-amine

C19H33NO — CID 43495169

IUPAC1-(4-ethoxyphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(OCC)cc1
InChIInChI=1S/C19H33NO/c1-4-7-8-9-10-11-19(20-16-5-2)17-12-14-18(15-13-17)21-6-3/h12-15,19-20H,4-11,16H2,1-3H3
InChIKeyXWXGDPYWUVXMCS-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.49
Rot. Bonds12

About 1-(4-ethoxyphenyl)-N-propyloctan-1-amine

1-(4-ethoxyphenyl)-N-propyloctan-1-amine (PubChem CID 43495169) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-propyloctan-1-amine
PubChem CID43495169
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-ethoxyphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(OCC)cc1
InChIInChI=1S/C19H33NO/c1-4-7-8-9-10-11-19(20-16-5-2)17-12-14-18(15-13-17)21-6-3/h12-15,19-20H,4-11,16H2,1-3H3
InChIKeyXWXGDPYWUVXMCS-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-propyloctan-1-amine (CID 43495169) is 1-(4-ethoxyphenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-propyloctan-1-amine?
The InChIKey is XWXGDPYWUVXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-7-8-9-10-11-19(20-16-5-2)17-12-14-18(15-13-17)21-6-3/h12-15,19-20H,4-11,16H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-propyloctan-1-amine?
1-(4-ethoxyphenyl)-N-propyloctan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 43495169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).