4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine

C17H27NO — CID 76943607

IUPAC4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCNCCC
InChIInChI=1S/C17H27NO/c1-4-9-16-11-6-7-12-17(16)19-15(3)10-8-14-18-13-5-2/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3
InChIKeyJDAHDAUFPRPHLX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds9

About 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine

4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine (PubChem CID 76943607) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
PubChem CID76943607
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
SMILESCC=Cc1ccccc1OC(C)CCCNCCC
InChIInChI=1S/C17H27NO/c1-4-9-16-11-6-7-12-17(16)19-15(3)10-8-14-18-13-5-2/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3
InChIKeyJDAHDAUFPRPHLX-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-prop-1-enylphenoxy)propyl]pentan-1-amine
CID 76997630
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943648
4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943605
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
CID 76997631
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943582
2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83045143
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine?
The IUPAC name of 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine (CID 76943607) is 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine?
The canonical SMILES for 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine is CC=Cc1ccccc1OC(C)CCCNCCC.
What is the InChIKey of 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine?
The InChIKey is JDAHDAUFPRPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-9-16-11-6-7-12-17(16)19-15(3)10-8-14-18-13-5-2/h4,6-7,9,11-12,15,18H,5,8,10,13-14H2,1-3H3.
What are the key properties of 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine?
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine is sourced from PubChem (CID 76943607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).