3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine

C15H21ClFN — CID 63355212

IUPAC3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H21ClFN/c1-2-10-18-15(11-6-7-11)9-8-12-13(16)4-3-5-14(12)17/h3-5,11,15,18H,2,6-10H2,1H3
InChIKeyNODQEVZUTISVIZ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds7

About 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine

3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine (PubChem CID 63355212) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
PubChem CID63355212
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H21ClFN/c1-2-10-18-15(11-6-7-11)9-8-12-13(16)4-3-5-14(12)17/h3-5,11,15,18H,2,6-10H2,1H3
InChIKeyNODQEVZUTISVIZ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400193
1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
CID 63401428
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
CID 115728904
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine (CID 63355212) is 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine is CCCNC(CCc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is NODQEVZUTISVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-18-15(11-6-7-11)9-8-12-13(16)4-3-5-14(12)17/h3-5,11,15,18H,2,6-10H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine?
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 63355212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).