N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine

C17H27NO — CID 76997631

IUPACN-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
SMILESCC=Cc1ccccc1OC(C)CNC(C)CCC
InChIInChI=1S/C17H27NO/c1-5-9-14(3)18-13-15(4)19-17-12-8-7-11-16(17)10-6-2/h6-8,10-12,14-15,18H,5,9,13H2,1-4H3
InChIKeyOODLYXOBSCJNPM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine

N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine (PubChem CID 76997631) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
PubChem CID76997631
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine
SMILESCC=Cc1ccccc1OC(C)CNC(C)CCC
InChIInChI=1S/C17H27NO/c1-5-9-14(3)18-13-15(4)19-17-12-8-7-11-16(17)10-6-2/h6-8,10-12,14-15,18H,5,9,13H2,1-4H3
InChIKeyOODLYXOBSCJNPM-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-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-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
4-(2-prop-1-enylphenoxy)-N-propylpentan-1-amine
CID 76943607
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
1-(1-bromopropan-2-yloxy)-2-prop-1-enylbenzene
CID 131866211
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991
4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943605
2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83045143
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943648
N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
CID 114677015
N-[2-(2-chloro-4-fluorophenoxy)propyl]pentan-2-amine
CID 62599082
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine?
The IUPAC name of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine (CID 76997631) is N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine is CC=Cc1ccccc1OC(C)CNC(C)CCC.
What is the InChIKey of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine?
The InChIKey is OODLYXOBSCJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-9-14(3)18-13-15(4)19-17-12-8-7-11-16(17)10-6-2/h6-8,10-12,14-15,18H,5,9,13H2,1-4H3.
What are the key properties of N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine?
N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-1-enylphenoxy)propyl]pentan-2-amine is sourced from PubChem (CID 76997631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).