3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine

C12H17ClFNO — CID 106306177

IUPAC3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
SMILESFc1ccccc1CNCCCOCCCl
InChIInChI=1S/C12H17ClFNO/c13-6-9-16-8-3-7-15-10-11-4-1-2-5-12(11)14/h1-2,4-5,15H,3,6-10H2
InChIKeyUQOSMEWNWZLMOC-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.56
Rot. Bonds8

About 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine

3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine (PubChem CID 106306177) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
PubChem CID106306177
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine
SMILESFc1ccccc1CNCCCOCCCl
InChIInChI=1S/C12H17ClFNO/c13-6-9-16-8-3-7-15-10-11-4-1-2-5-12(11)14/h1-2,4-5,15H,3,6-10H2
InChIKeyUQOSMEWNWZLMOC-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
3-(2-chloroethoxy)-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 106306235
N-[(2-chloro-3-fluorophenyl)methyl]-3-propoxypropan-1-amine
CID 112652222
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
3-(2-chloroethoxy)-N-[(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 106306268
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
N-[(4-bromo-2-chlorophenyl)methyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306137

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine (CID 106306177) is 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine is Fc1ccccc1CNCCCOCCCl.
What is the InChIKey of 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine?
The InChIKey is UQOSMEWNWZLMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c13-6-9-16-8-3-7-15-10-11-4-1-2-5-12(11)14/h1-2,4-5,15H,3,6-10H2.
What are the key properties of 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine?
3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine has a molecular weight of 245.72 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-N-[(2-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106306177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).