3-(2,3,4-tripropoxyphenyl)propan-1-amine

C18H31NO3 — CID 95421402

IUPAC3-(2,3,4-tripropoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CCCN)c(OCCC)c1OCCC
InChIInChI=1S/C18H31NO3/c1-4-12-20-16-10-9-15(8-7-11-19)17(21-13-5-2)18(16)22-14-6-3/h9-10H,4-8,11-14,19H2,1-3H3
InChIKeyCLRDEIZWMTZGFS-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.94
Rot. Bonds12

About 3-(2,3,4-tripropoxyphenyl)propan-1-amine

3-(2,3,4-tripropoxyphenyl)propan-1-amine (PubChem CID 95421402) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-(2,3,4-tripropoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3,4-tripropoxyphenyl)propan-1-amine
PubChem CID95421402
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name3-(2,3,4-tripropoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CCCN)c(OCCC)c1OCCC
InChIInChI=1S/C18H31NO3/c1-4-12-20-16-10-9-15(8-7-11-19)17(21-13-5-2)18(16)22-14-6-3/h9-10H,4-8,11-14,19H2,1-3H3
InChIKeyCLRDEIZWMTZGFS-UHFFFAOYSA-N
XLogP3.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
1-(2-methylbut-3-enyl)-2,3,4-tripropoxybenzene
CID 83934194
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
4-hexyl-3-propoxybenzene-1,2-diol
CID 154435439
2-propoxy-5-propyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 154277902
1,2,3,4,5-pentapropoxybenzene
CID 91365553
1-(2-methoxyethoxy)-4-(4-propoxybutyl)naphthalene
CID 123532890
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-tripropoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,3,4-tripropoxyphenyl)propan-1-amine (CID 95421402) is 3-(2,3,4-tripropoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3,4-tripropoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3,4-tripropoxyphenyl)propan-1-amine is CCCOc1ccc(CCCN)c(OCCC)c1OCCC.
What is the InChIKey of 3-(2,3,4-tripropoxyphenyl)propan-1-amine?
The InChIKey is CLRDEIZWMTZGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-4-12-20-16-10-9-15(8-7-11-19)17(21-13-5-2)18(16)22-14-6-3/h9-10H,4-8,11-14,19H2,1-3H3.
What are the key properties of 3-(2,3,4-tripropoxyphenyl)propan-1-amine?
3-(2,3,4-tripropoxyphenyl)propan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-tripropoxyphenyl)propan-1-amine is sourced from PubChem (CID 95421402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).