N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane

C13H21ClFN — CID 142079135

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN.C2H6/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13;1-2/h3-5,8,14H,6-7H2,1-2H3;1-2H3
InChIKeyBOIREDPRHXEMAY-UHFFFAOYSA-N
MW245.77 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane

N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane (PubChem CID 142079135) has the molecular formula C13H21ClFN and a molecular weight of 245.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
PubChem CID142079135
Molecular FormulaC13H21ClFN
Molecular Weight245.77 g/mol
Exact Mass245.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN.C2H6/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13;1-2/h3-5,8,14H,6-7H2,1-2H3;1-2H3
InChIKeyBOIREDPRHXEMAY-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63023882
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane (CID 142079135) is N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane is CC.CC(C)CNCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane?
The InChIKey is BOIREDPRHXEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN.C2H6/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13;1-2/h3-5,8,14H,6-7H2,1-2H3;1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane?
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane has a molecular weight of 245.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane is sourced from PubChem (CID 142079135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).