2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine

C15H22ClFN2O — CID 114488972

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
SMILESCOCCN1CCCCC(N)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2O/c1-20-10-9-19-8-3-2-7-13(18)15(19)11-5-4-6-12(16)14(11)17/h4-6,13,15H,2-3,7-10,18H2,1H3
InChIKeyWTAIAXPKDLXCRB-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine

2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine (PubChem CID 114488972) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
PubChem CID114488972
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
SMILESCOCCN1CCCCC(N)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H22ClFN2O/c1-20-10-9-19-8-3-2-7-13(18)15(19)11-5-4-6-12(16)14(11)17/h4-6,13,15H,2-3,7-10,18H2,1H3
InChIKeyWTAIAXPKDLXCRB-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-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

2-(2-cyclopropylphenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 79972652
2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 114488962
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
2-(2-chloro-4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 90759129
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
CID 144941855

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine (CID 114488972) is 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine is COCCN1CCCCC(N)C1c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine?
The InChIKey is WTAIAXPKDLXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-20-10-9-19-8-3-2-7-13(18)15(19)11-5-4-6-12(16)14(11)17/h4-6,13,15H,2-3,7-10,18H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine?
2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine has a molecular weight of 300.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine is sourced from PubChem (CID 114488972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).