3-(2-ethoxyphenyl)cycloheptan-1-amine

C15H23NO — CID 64505330

IUPAC3-(2-ethoxyphenyl)cycloheptan-1-amine
SMILESCCOc1ccccc1C1CCCCC(N)C1
InChIInChI=1S/C15H23NO/c1-2-17-15-10-6-5-9-14(15)12-7-3-4-8-13(16)11-12/h5-6,9-10,12-13H,2-4,7-8,11,16H2,1H3
InChIKeyZQYQORWVDUUNGJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.46
Rot. Bonds3

About 3-(2-ethoxyphenyl)cycloheptan-1-amine

3-(2-ethoxyphenyl)cycloheptan-1-amine (PubChem CID 64505330) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)cycloheptan-1-amine
PubChem CID64505330
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(2-ethoxyphenyl)cycloheptan-1-amine
SMILESCCOc1ccccc1C1CCCCC(N)C1
InChIInChI=1S/C15H23NO/c1-2-17-15-10-6-5-9-14(15)12-7-3-4-8-13(16)11-12/h5-6,9-10,12-13H,2-4,7-8,11,16H2,1H3
InChIKeyZQYQORWVDUUNGJ-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethoxyphenyl)cycloheptan-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

cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
1-ethoxy-2-(4-methoxycyclohexyl)benzene
CID 171646591
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
1-bromo-3-(2-propoxyphenyl)cycloheptane
CID 104662860
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
3-(2-fluorophenyl)cyclohexan-1-amine
CID 64503186
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)cycloheptan-1-amine?
The IUPAC name of 3-(2-ethoxyphenyl)cycloheptan-1-amine (CID 64505330) is 3-(2-ethoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)cycloheptan-1-amine is CCOc1ccccc1C1CCCCC(N)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)cycloheptan-1-amine?
The InChIKey is ZQYQORWVDUUNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-17-15-10-6-5-9-14(15)12-7-3-4-8-13(16)11-12/h5-6,9-10,12-13H,2-4,7-8,11,16H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)cycloheptan-1-amine?
3-(2-ethoxyphenyl)cycloheptan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 64505330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).