3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine

C19H29NO — CID 116773664

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)C(CC1CC2CCC1C2)NC
InChIInChI=1S/C19H29NO/c1-3-21-19(15-7-5-4-6-8-15)18(20-2)13-17-12-14-9-10-16(17)11-14/h4-8,14,16-20H,3,9-13H2,1-2H3
InChIKeyMQNCSYDWRMYMRZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.18
Rot. Bonds7

About 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine

3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 116773664) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine
PubChem CID116773664
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)C(CC1CC2CCC1C2)NC
InChIInChI=1S/C19H29NO/c1-3-21-19(15-7-5-4-6-8-15)18(20-2)13-17-12-14-9-10-16(17)11-14/h4-8,14,16-20H,3,9-13H2,1-2H3
InChIKeyMQNCSYDWRMYMRZ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-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

[3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279376
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
(3-cyclopropyl-1-ethoxy-1-phenylpropan-2-yl)hydrazine
CID 105279201
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(2-propoxyphenyl)ethanamine
CID 105035765
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271229
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717001
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012799
2-[2-chloro-2-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55199641
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine (CID 116773664) is 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine is CCOC(c1ccccc1)C(CC1CC2CCC1C2)NC.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is MQNCSYDWRMYMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-21-19(15-7-5-4-6-8-15)18(20-2)13-17-12-14-9-10-16(17)11-14/h4-8,14,16-20H,3,9-13H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine?
3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 116773664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).