1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

C15H23FN2O — CID 107521298

IUPAC1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCOC1)CC(N)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-18(9-12-3-2-8-19-11-12)10-15(17)13-4-6-14(16)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3
InChIKeyLKICDAOYKWOOSW-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.18
Rot. Bonds5

About 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 107521298) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
PubChem CID107521298
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCCOC1)CC(N)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-18(9-12-3-2-8-19-11-12)10-15(17)13-4-6-14(16)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3
InChIKeyLKICDAOYKWOOSW-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 107521653
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 107521307
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63726652
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanenitrile
CID 64538378
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine (CID 107521298) is 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is CN(CC1CCCOC1)CC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is LKICDAOYKWOOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(9-12-3-2-8-19-11-12)10-15(17)13-4-6-14(16)7-5-13/h4-7,12,15H,2-3,8-11,17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 107521298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).