N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine

C13H17ClFN — CID 86940190

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)CC1CC1
InChIInChI=1S/C13H17ClFN/c1-2-16(8-10-6-7-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9H2,1H3
InChIKeyFTVYGLHPPOZHON-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.71
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine (PubChem CID 86940190) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
PubChem CID86940190
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
SMILESCCN(Cc1c(F)cccc1Cl)CC1CC1
InChIInChI=1S/C13H17ClFN/c1-2-16(8-10-6-7-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9H2,1H3
InChIKeyFTVYGLHPPOZHON-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
[4-[[(2-chloro-6-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 23992939
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-cyclopropylimidazol-2-yl)methyl]ethanamine
CID 91833064
N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 77095534
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
3-[cyclopropylmethyl-[(2,6-difluorophenyl)methyl]amino]propanenitrile
CID 84594228
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine (CID 86940190) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine is CCN(Cc1c(F)cccc1Cl)CC1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine?
The InChIKey is FTVYGLHPPOZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-2-16(8-10-6-7-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 86940190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).