3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine

C13H19NO — CID 169464663

IUPAC3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
SMILESCC(C)COc1ccc(C=CCN)cc1
InChIInChI=1S/C13H19NO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10,14H2,1-2H3
InChIKeyDLZAIDMIJBAEGF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds5

About 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine

3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine (PubChem CID 169464663) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
PubChem CID169464663
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
SMILESCC(C)COc1ccc(C=CCN)cc1
InChIInChI=1S/C13H19NO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10,14H2,1-2H3
InChIKeyDLZAIDMIJBAEGF-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2-methylpropoxy)phenyl]prop-2-en-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

1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 131842632
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
3-[4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 4201747
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
CID 56978617
(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
CID 82281241
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
CID 70597845
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
(E)-3-(4-cyclopropyloxyphenyl)prop-2-en-1-amine
CID 117281499
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine (CID 169464663) is 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine is CC(C)COc1ccc(C=CCN)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine?
The InChIKey is DLZAIDMIJBAEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10,14H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine?
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169464663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).