2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine

C18H28N2O — CID 79972652

IUPAC2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine
SMILESCOCCN1CCCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C18H28N2O/c1-21-13-12-20-11-5-4-8-17(19)18(20)16-7-3-2-6-15(16)14-9-10-14/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3
InChIKeyAWDSYDOOWNDMBW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine

2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine (PubChem CID 79972652) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine
PubChem CID79972652
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine
SMILESCOCCN1CCCCC(N)C1c1ccccc1C1CC1
InChIInChI=1S/C18H28N2O/c1-21-13-12-20-11-5-4-8-17(19)18(20)16-7-3-2-6-15(16)14-9-10-14/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3
InChIKeyAWDSYDOOWNDMBW-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
2-(2-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-3-amine
CID 79978225
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
[2-(2-cyclopropylphenyl)-1-propan-2-ylazepan-3-yl]methanamine
CID 79972102
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
CID 79977730
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
CID 66118965
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
2-isoquinolin-4-yl-1-propylpiperidin-3-amine
CID 104505167

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine?
The IUPAC name of 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine (CID 79972652) is 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine is COCCN1CCCCC(N)C1c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine?
The InChIKey is AWDSYDOOWNDMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-13-12-20-11-5-4-8-17(19)18(20)16-7-3-2-6-15(16)14-9-10-14/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3.
What are the key properties of 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine?
2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine is sourced from PubChem (CID 79972652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).