1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine

C11H13F2N — CID 43658793

IUPAC1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCC2CC2)c1F
InChIInChI=1S/C11H13F2N/c12-10-3-1-2-9(11(10)13)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2
InChIKeyQHQZUCQKKZQLNH-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine

1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine (PubChem CID 43658793) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
PubChem CID43658793
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
SMILESFc1cccc(CNCC2CC2)c1F
InChIInChI=1S/C11H13F2N/c12-10-3-1-2-9(11(10)13)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2
InChIKeyQHQZUCQKKZQLNH-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
N-[(2,3-difluorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 61024974
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine (CID 43658793) is 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine is Fc1cccc(CNCC2CC2)c1F.
What is the InChIKey of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine?
The InChIKey is QHQZUCQKKZQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-10-3-1-2-9(11(10)13)7-14-6-8-4-5-8/h1-3,8,14H,4-7H2.
What are the key properties of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine?
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine has a molecular weight of 197.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 43658793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).