1-(4-propoxyphenyl)-N-propylbutan-1-amine

C16H27NO — CID 55120619

IUPAC1-(4-propoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO/c1-4-7-16(17-12-5-2)14-8-10-15(11-9-14)18-13-6-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyACPJGOYZJOJXGZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds9

About 1-(4-propoxyphenyl)-N-propylbutan-1-amine

1-(4-propoxyphenyl)-N-propylbutan-1-amine (PubChem CID 55120619) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-N-propylbutan-1-amine
PubChem CID55120619
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-propoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO/c1-4-7-16(17-12-5-2)14-8-10-15(11-9-14)18-13-6-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyACPJGOYZJOJXGZ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
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)-3-methyl-N-propylbutan-1-amine
CID 105083341
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
2-methoxy-1-(4-propoxyphenyl)-N-propylpropan-1-amine
CID 79617326
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4-propoxyphenyl)-N-propylbutan-1-amine (CID 55120619) is 1-(4-propoxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-propoxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-propoxyphenyl)-N-propylbutan-1-amine is CCCNC(CCC)c1ccc(OCCC)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-N-propylbutan-1-amine?
The InChIKey is ACPJGOYZJOJXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-16(17-12-5-2)14-8-10-15(11-9-14)18-13-6-3/h8-11,16-17H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-propoxyphenyl)-N-propylbutan-1-amine?
1-(4-propoxyphenyl)-N-propylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 55120619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).