1-(4-pentoxyphenyl)-N-propylpropan-1-amine

C17H29NO — CID 43280171

IUPAC1-(4-pentoxyphenyl)-N-propylpropan-1-amine
SMILESCCCCCOc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C17H29NO/c1-4-7-8-14-19-16-11-9-15(10-12-16)17(6-3)18-13-5-2/h9-12,17-18H,4-8,13-14H2,1-3H3
InChIKeySJJXKVPMZOUUNA-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.71
Rot. Bonds10

About 1-(4-pentoxyphenyl)-N-propylpropan-1-amine

1-(4-pentoxyphenyl)-N-propylpropan-1-amine (PubChem CID 43280171) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(4-pentoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-pentoxyphenyl)-N-propylpropan-1-amine
PubChem CID43280171
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(4-pentoxyphenyl)-N-propylpropan-1-amine
SMILESCCCCCOc1ccc(C(CC)NCCC)cc1
InChIInChI=1S/C17H29NO/c1-4-7-8-14-19-16-11-9-15(10-12-16)17(6-3)18-13-5-2/h9-12,17-18H,4-8,13-14H2,1-3H3
InChIKeySJJXKVPMZOUUNA-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.71
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

N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
CID 54807525
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
2,2-dimethyl-4-[4-[1-(propylamino)propyl]phenoxy]butanenitrile
CID 65246755
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-pentoxyphenyl)-N-propylpropan-1-amine (CID 43280171) is 1-(4-pentoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-pentoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-pentoxyphenyl)-N-propylpropan-1-amine is CCCCCOc1ccc(C(CC)NCCC)cc1.
What is the InChIKey of 1-(4-pentoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is SJJXKVPMZOUUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-8-14-19-16-11-9-15(10-12-16)17(6-3)18-13-5-2/h9-12,17-18H,4-8,13-14H2,1-3H3.
What are the key properties of 1-(4-pentoxyphenyl)-N-propylpropan-1-amine?
1-(4-pentoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43280171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).