2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine

C16H25ClN2O — CID 63787232

IUPAC2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCCOC1CCCN(c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H25ClN2O/c1-2-11-20-13-5-4-10-19(12-13)16-7-3-6-15(17)14(16)8-9-18/h3,6-7,13H,2,4-5,8-12,18H2,1H3
InChIKeyFDHWTSKNWFTPIL-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.24
Rot. Bonds6

About 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine

2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine (PubChem CID 63787232) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
PubChem CID63787232
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
SMILESCCCOC1CCCN(c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H25ClN2O/c1-2-11-20-13-5-4-10-19(12-13)16-7-3-6-15(17)14(16)8-9-18/h3,6-7,13H,2,4-5,8-12,18H2,1H3
InChIKeyFDHWTSKNWFTPIL-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine 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

1-[3-chloro-2-(chloromethyl)phenyl]-3-ethoxypiperidine
CID 54989891
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 54989682
2-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 63787234
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
CID 81152025
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
CID 115992523
1-[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 81148807
3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76984144
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine (CID 63787232) is 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine is CCCOC1CCCN(c2cccc(Cl)c2CCN)C1.
What is the InChIKey of 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
The InChIKey is FDHWTSKNWFTPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-11-20-13-5-4-10-19(12-13)16-7-3-6-15(17)14(16)8-9-18/h3,6-7,13H,2,4-5,8-12,18H2,1H3.
What are the key properties of 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine?
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63787232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).