1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

C14H19F2NO — CID 114932663

IUPAC1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)C(OC)C1CC1
InChIInChI=1S/C14H19F2NO/c1-17-13(14(18-2)9-6-7-9)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14,17H,6-8H2,1-2H3
InChIKeySQUWDPRSJQNSHI-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine

1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 114932663) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
PubChem CID114932663
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1F)C(OC)C1CC1
InChIInChI=1S/C14H19F2NO/c1-17-13(14(18-2)9-6-7-9)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14,17H,6-8H2,1-2H3
InChIKeySQUWDPRSJQNSHI-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932745
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
[3-(2-chloro-3-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272648
3-(3-bromo-2,6-difluorophenyl)-1-cyclopropyl-1-methoxy-N-propylpropan-2-amine
CID 106268545
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
1-cyclopropyl-1-methoxy-N-methyl-5-phenylpentan-2-amine
CID 116722293
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine (CID 114932663) is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is CNC(Cc1c(F)cccc1F)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is SQUWDPRSJQNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-17-13(14(18-2)9-6-7-9)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14,17H,6-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine?
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 114932663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).