(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine

C16H23NO — CID 75482901

IUPAC(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CN(C)CC1CCOC1
InChIInChI=1S/C16H23NO/c1-14(10-15-6-4-3-5-7-15)11-17(2)12-16-8-9-18-13-16/h3-7,10,16H,8-9,11-13H2,1-2H3/b14-10+
InChIKeyAKNPMGKYSANERY-GXDHUFHOSA-N
MW245.37 g/mol
LogP3.06
Rot. Bonds5

About (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine

(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 75482901) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID75482901
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC/C(=C\c1ccccc1)CN(C)CC1CCOC1
InChIInChI=1S/C16H23NO/c1-14(10-15-6-4-3-5-7-15)11-17(2)12-16-8-9-18-13-16/h3-7,10,16H,8-9,11-13H2,1-2H3/b14-10+
InChIKeyAKNPMGKYSANERY-GXDHUFHOSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-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

N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
CID 129398388
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940224
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
CID 97160391
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
CID 122236959

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine (CID 75482901) is (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine is C/C(=C\c1ccccc1)CN(C)CC1CCOC1.
What is the InChIKey of (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is AKNPMGKYSANERY-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(10-15-6-4-3-5-7-15)11-17(2)12-16-8-9-18-13-16/h3-7,10,16H,8-9,11-13H2,1-2H3/b14-10+.
What are the key properties of (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine?
(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 75482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).