N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H25FN2O — CID 115716338

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-13(11-14-5-4-6-15(16)12-14)17-7-8-18(2)9-10-19-3/h4-6,12-13,17H,7-11H2,1-3H3
InChIKeyRWLNOWDZHNUSOO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.92
Rot. Bonds9

About N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 115716338) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID115716338
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-13(11-14-5-4-6-15(16)12-14)17-7-8-18(2)9-10-19-3/h4-6,12-13,17H,7-11H2,1-3H3
InChIKeyRWLNOWDZHNUSOO-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111877799
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 115716338) is N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is RWLNOWDZHNUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-13(11-14-5-4-6-15(16)12-14)17-7-8-18(2)9-10-19-3/h4-6,12-13,17H,7-11H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115716338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).