N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine

C19H23NO — CID 43100461

IUPACN-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-15-9-14-20-19(18-12-7-4-8-13-18)16-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2
InChIKeyXXSDSUOAFBGAHL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.11
Rot. Bonds9

About N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine

N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine (PubChem CID 43100461) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
PubChem CID43100461
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
SMILESC=COCCCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-15-9-14-20-19(18-12-7-4-8-13-18)16-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2
InChIKeyXXSDSUOAFBGAHL-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1,2-diphenylethyl)-3-ethenoxypropan-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-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
2-(1,2-diphenylethylamino)ethyl carbamate
CID 83191437
3-(1,2-diphenylethylamino)propane-1-sulfonic acid
CID 15086169
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine?
The IUPAC name of N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine (CID 43100461) is N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine?
The canonical SMILES for N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine is C=COCCCNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine?
The InChIKey is XXSDSUOAFBGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-15-9-14-20-19(18-12-7-4-8-13-18)16-17-10-5-3-6-11-17/h2-8,10-13,19-20H,1,9,14-16H2.
What are the key properties of N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine?
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine is sourced from PubChem (CID 43100461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).