N-ethyl-1-(4-propoxyphenyl)pentan-1-amine

C16H27NO — CID 79405246

IUPACN-ethyl-1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCCC(NCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO/c1-4-7-8-16(17-6-3)14-9-11-15(12-10-14)18-13-5-2/h9-12,16-17H,4-8,13H2,1-3H3
InChIKeyKMSUJCLIGVRHFZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.32
Rot. Bonds9

About N-ethyl-1-(4-propoxyphenyl)pentan-1-amine

N-ethyl-1-(4-propoxyphenyl)pentan-1-amine (PubChem CID 79405246) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(4-propoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propoxyphenyl)pentan-1-amine
PubChem CID79405246
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(4-propoxyphenyl)pentan-1-amine
SMILESCCCCC(NCC)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO/c1-4-7-8-16(17-6-3)14-9-11-15(12-10-14)18-13-5-2/h9-12,16-17H,4-8,13H2,1-3H3
InChIKeyKMSUJCLIGVRHFZ-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-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
CID 65092226
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
CID 116717020
N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
CID 43492130
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propoxyphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-1-(4-propoxyphenyl)pentan-1-amine (CID 79405246) is N-ethyl-1-(4-propoxyphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propoxyphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-propoxyphenyl)pentan-1-amine is CCCCC(NCC)c1ccc(OCCC)cc1.
What is the InChIKey of N-ethyl-1-(4-propoxyphenyl)pentan-1-amine?
The InChIKey is KMSUJCLIGVRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-8-16(17-6-3)14-9-11-15(12-10-14)18-13-5-2/h9-12,16-17H,4-8,13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propoxyphenyl)pentan-1-amine?
N-ethyl-1-(4-propoxyphenyl)pentan-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 N-ethyl-1-(4-propoxyphenyl)pentan-1-amine is sourced from PubChem (CID 79405246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).