2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine

C18H21ClFN — CID 79436263

IUPAC2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-11-21-13-15(17-5-3-4-6-18(17)19)12-14-7-9-16(20)10-8-14/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNPTOHHKTBILCOX-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.80
Rot. Bonds7

About 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine

2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 79436263) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID79436263
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-11-21-13-15(17-5-3-4-6-18(17)19)12-14-7-9-16(20)10-8-14/h3-10,15,21H,2,11-13H2,1H3
InChIKeyNPTOHHKTBILCOX-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79436850
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-chlorophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79448818
1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
CID 114488975
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine (CID 79436263) is 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is NPTOHHKTBILCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-11-21-13-15(17-5-3-4-6-18(17)19)12-14-7-9-16(20)10-8-14/h3-10,15,21H,2,11-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine?
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79436263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).