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

C18H23FN2 — CID 62618774

IUPACN'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-3-21(18-7-5-4-6-16(18)19)13-12-17(20)15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,20H2,1-2H3
InChIKeyWUWNQHJLQFHKDX-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.05
Rot. Bonds6

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

N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62618774) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62618774
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-3-21(18-7-5-4-6-16(18)19)13-12-17(20)15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,20H2,1-2H3
InChIKeyWUWNQHJLQFHKDX-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.05
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'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine (CID 62618774) is N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine is CCN(CCC(N)c1ccc(C)cc1)c1ccccc1F.
What is the InChIKey of N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is WUWNQHJLQFHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-21(18-7-5-4-6-16(18)19)13-12-17(20)15-10-8-14(2)9-11-15/h4-11,17H,3,12-13,20H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine?
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62618774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).