1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine

C14H21ClFNO — CID 105396834

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1cc(F)ccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-8-18-9-7-14(17-4-2)12-10-11(16)5-6-13(12)15/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeyORVNRTCUYQPCDR-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.95
Rot. Bonds8

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 105396834) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID105396834
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1cc(F)ccc1Cl
InChIInChI=1S/C14H21ClFNO/c1-3-8-18-9-7-14(17-4-2)12-10-11(16)5-6-13(12)15/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeyORVNRTCUYQPCDR-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 105394830
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-difluorophenyl)-N-ethylbutan-1-amine
CID 43490158
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 55152994
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine (CID 105396834) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is ORVNRTCUYQPCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO/c1-3-8-18-9-7-14(17-4-2)12-10-11(16)5-6-13(12)15/h5-6,10,14,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 273.78 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105396834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).