N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine

C19H23NO — CID 76940344

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCOCc1ccccc1CNCC=Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-16-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-13,20H,2,14-16H2,1H3
InChIKeyJKBMUHXDQXYQNO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.03
Rot. Bonds8

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 76940344) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID76940344
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine
SMILESCCOCc1ccccc1CNCC=Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-16-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-13,20H,2,14-16H2,1H3
InChIKeyJKBMUHXDQXYQNO-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-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

(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17206556
2-[[2-(3-phenylprop-2-enylamino)ethylamino]methyl]phenol
CID 70598852
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
(E)-N-(1-benzothiophen-4-ylmethyl)-3-phenylprop-2-en-1-amine
CID 24971884
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 60753165
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953
N-[(2-bromo-5-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine
CID 76940417
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
5-ethoxypent-1-enylbenzene
CID 54285670

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine (CID 76940344) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine is CCOCc1ccccc1CNCC=Cc1ccccc1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is JKBMUHXDQXYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-16-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-13,20H,2,14-16H2,1H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 76940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).