3-(4-pentoxyphenyl)propan-1-imine

C14H21NO — CID 163965079

IUPAC3-(4-pentoxyphenyl)propan-1-imine
SMILES[H]/N=C/CCc1ccc(OCCCCC)cc1
InChIInChI=1S/C14H21NO/c1-2-3-4-12-16-14-9-7-13(8-10-14)6-5-11-15/h7-11,15H,2-6,12H2,1H3/b15-11+
InChIKeySKZGHJHCIRSDKU-RVDMUPIBSA-N
MW219.33 g/mol
LogP3.84
Rot. Bonds8

About 3-(4-pentoxyphenyl)propan-1-imine

3-(4-pentoxyphenyl)propan-1-imine (PubChem CID 163965079) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-pentoxyphenyl)propan-1-imine.

Molecular Properties

Compound Name3-(4-pentoxyphenyl)propan-1-imine
PubChem CID163965079
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(4-pentoxyphenyl)propan-1-imine
SMILES[H]/N=C/CCc1ccc(OCCCCC)cc1
InChIInChI=1S/C14H21NO/c1-2-3-4-12-16-14-9-7-13(8-10-14)6-5-11-15/h7-11,15H,2-6,12H2,1H3/b15-11+
InChIKeySKZGHJHCIRSDKU-RVDMUPIBSA-N
XLogP3.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentoxyphenyl)propan-1-imine?
The IUPAC name of 3-(4-pentoxyphenyl)propan-1-imine (CID 163965079) is 3-(4-pentoxyphenyl)propan-1-imine.
What is the SMILES notation for 3-(4-pentoxyphenyl)propan-1-imine?
The canonical SMILES for 3-(4-pentoxyphenyl)propan-1-imine is [H]/N=C/CCc1ccc(OCCCCC)cc1.
What is the InChIKey of 3-(4-pentoxyphenyl)propan-1-imine?
The InChIKey is SKZGHJHCIRSDKU-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-12-16-14-9-7-13(8-10-14)6-5-11-15/h7-11,15H,2-6,12H2,1H3/b15-11+.
What are the key properties of 3-(4-pentoxyphenyl)propan-1-imine?
3-(4-pentoxyphenyl)propan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentoxyphenyl)propan-1-imine is sourced from PubChem (CID 163965079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).