N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine

C18H23FN2 — CID 62613117

IUPACN-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-20-18(15-8-5-4-6-9-15)12-13-21(2)17-11-7-10-16(19)14-17/h4-11,14,18,20H,3,12-13H2,1-2H3
InChIKeyUPTDIKAGJDYLQW-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.00
Rot. Bonds7

About N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine

N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62613117) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID62613117
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCCNC(CCN(C)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-20-18(15-8-5-4-6-9-15)12-13-21(2)17-11-7-10-16(19)14-17/h4-11,14,18,20H,3,12-13H2,1-2H3
InChIKeyUPTDIKAGJDYLQW-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine (CID 62613117) is N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine is CCNC(CCN(C)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is UPTDIKAGJDYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-20-18(15-8-5-4-6-9-15)12-13-21(2)17-11-7-10-16(19)14-17/h4-11,14,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine?
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62613117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).