2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine

C11H14Cl2FNO — CID 81114613

IUPAC2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCCCF
InChIInChI=1S/C11H14Cl2FNO/c12-9-6-8(2-4-15)11(10(13)7-9)16-5-1-3-14/h6-7H,1-5,15H2
InChIKeyKCACKFUWXDUBJW-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.23
Rot. Bonds6

About 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine (PubChem CID 81114613) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
PubChem CID81114613
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCCCF
InChIInChI=1S/C11H14Cl2FNO/c12-9-6-8(2-4-15)11(10(13)7-9)16-5-1-3-14/h6-7H,1-5,15H2
InChIKeyKCACKFUWXDUBJW-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3,5-dichloro-2-(3-fluoropropoxy)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

2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine (CID 81114613) is 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCCCF.
What is the InChIKey of 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine?
The InChIKey is KCACKFUWXDUBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FNO/c12-9-6-8(2-4-15)11(10(13)7-9)16-5-1-3-14/h6-7H,1-5,15H2.
What are the key properties of 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 81114613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).