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

C18H21ClFN — CID 63400193

IUPAC3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-13-21-18(14-7-4-3-5-8-14)12-11-15-16(19)9-6-10-17(15)20/h3-10,18,21H,2,11-13H2,1H3
InChIKeyNEUMSOMLJQCPDP-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.15
Rot. Bonds7

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

3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine (PubChem CID 63400193) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
PubChem CID63400193
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(CCc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-13-21-18(14-7-4-3-5-8-14)12-11-15-16(19)9-6-10-17(15)20/h3-10,18,21H,2,11-13H2,1H3
InChIKeyNEUMSOMLJQCPDP-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine (CID 63400193) is 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine is CCCNC(CCc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine?
The InChIKey is NEUMSOMLJQCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-13-21-18(14-7-4-3-5-8-14)12-11-15-16(19)9-6-10-17(15)20/h3-10,18,21H,2,11-13H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine?
3-(2-chloro-6-fluorophenyl)-1-phenyl-N-propylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.15, 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-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 63400193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).