N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine

C11H13F2N — CID 62396100

IUPACN-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-7-4-11(7)14-6-8-2-3-9(12)10(13)5-8/h2-3,5,7,11,14H,4,6H2,1H3
InChIKeyIERURYMRLSCFGM-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.46
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine

N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62396100) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62396100
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-7-4-11(7)14-6-8-2-3-9(12)10(13)5-8/h2-3,5,7,11,14H,4,6H2,1H3
InChIKeyIERURYMRLSCFGM-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 63050226
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
CID 113423514
N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
2-chloro-4-[[[(1R,2R)-2-methylcyclopropyl]amino]methyl]phenol
CID 94428869
2-chloro-4-[[(2-methylcyclopropyl)amino]methyl]phenol
CID 62396541
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylcycloheptan-1-amine
CID 81145754

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine (CID 62396100) is N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine is CC1CC1NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is IERURYMRLSCFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-4-11(7)14-6-8-2-3-9(12)10(13)5-8/h2-3,5,7,11,14H,4,6H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62396100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).