N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine

C15H23NO — CID 115633108

IUPACN-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1ccccc1OC(C)C
InChIInChI=1S/C15H23NO/c1-5-8-13(4)16-11-14-9-6-7-10-15(14)17-12(2)3/h5-7,9-10,12-13,16H,1,8,11H2,2-4H3
InChIKeyPXYXVCFFMFEIAY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds7

About N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine

N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine (PubChem CID 115633108) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
PubChem CID115633108
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1ccccc1OC(C)C
InChIInChI=1S/C15H23NO/c1-5-8-13(4)16-11-14-9-6-7-10-15(14)17-12(2)3/h5-7,9-10,12-13,16H,1,8,11H2,2-4H3
InChIKeyPXYXVCFFMFEIAY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-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

3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine (CID 115633108) is N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1ccccc1OC(C)C.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine?
The InChIKey is PXYXVCFFMFEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-8-13(4)16-11-14-9-6-7-10-15(14)17-12(2)3/h5-7,9-10,12-13,16H,1,8,11H2,2-4H3.
What are the key properties of N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine?
N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).