N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine

C14H21NO — CID 105005311

IUPACN,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(OCCC)c1
InChIInChI=1S/C14H21NO/c1-5-9-16-13-8-6-7-12(10-13)14(15-4)11(2)3/h6-8,10,14-15H,2,5,9H2,1,3-4H3
InChIKeyFJHFYIUPCUCVEN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.31
Rot. Bonds6

About N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine

N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine (PubChem CID 105005311) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
PubChem CID105005311
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1cccc(OCCC)c1
InChIInChI=1S/C14H21NO/c1-5-9-16-13-8-6-7-12(10-13)14(15-4)11(2)3/h6-8,10,14-15H,2,5,9H2,1,3-4H3
InChIKeyFJHFYIUPCUCVEN-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-1-(3-propoxyphenyl)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

N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
CID 105039459
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
N-methyl-1-(3-propoxyphenyl)hex-5-en-1-amine
CID 104986871
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine (CID 105005311) is N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine is C=C(C)C(NC)c1cccc(OCCC)c1.
What is the InChIKey of N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine?
The InChIKey is FJHFYIUPCUCVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-9-16-13-8-6-7-12(10-13)14(15-4)11(2)3/h6-8,10,14-15H,2,5,9H2,1,3-4H3.
What are the key properties of N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine?
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 105005311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).