1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine

C17H20ClFN2 — CID 63493106

IUPAC1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H20ClFN2/c1-2-21(16-5-3-4-15(19)12-16)11-10-17(20)13-6-8-14(18)9-7-13/h3-9,12,17H,2,10-11,20H2,1H3
InChIKeyFYNJZHNQVPLWEV-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.40
Rot. Bonds6

About 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine

1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 63493106) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID63493106
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H20ClFN2/c1-2-21(16-5-3-4-15(19)12-16)11-10-17(20)13-6-8-14(18)9-7-13/h3-9,12,17H,2,10-11,20H2,1H3
InChIKeyFYNJZHNQVPLWEV-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine (CID 63493106) is 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine is CCN(CCC(N)c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is FYNJZHNQVPLWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-21(16-5-3-4-15(19)12-16)11-10-17(20)13-6-8-14(18)9-7-13/h3-9,12,17H,2,10-11,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine?
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 306.81 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63493106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).