1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine

C17H20ClFN2 — CID 63493331

IUPAC1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H20ClFN2/c1-2-21(17-6-4-3-5-15(17)19)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16H,2,11-12,20H2,1H3
InChIKeyFRAMHRUWVGCYJV-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.40
Rot. Bonds6

About 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine

1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 63493331) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
PubChem CID63493331
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H20ClFN2/c1-2-21(17-6-4-3-5-15(17)19)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16H,2,11-12,20H2,1H3
InChIKeyFRAMHRUWVGCYJV-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

Analyze 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62628937
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine (CID 63493331) is 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine is CCN(CCC(N)c1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is FRAMHRUWVGCYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-21(17-6-4-3-5-15(17)19)12-11-16(20)13-7-9-14(18)10-8-13/h3-10,16H,2,11-12,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
1-(4-chlorophenyl)-N'-ethyl-N'-(2-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'-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63493331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).