1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine

C11H15F2NO — CID 82709732

IUPAC1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2)7-15-14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRFDUGTPRVRSNTB-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.64
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine

1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine (PubChem CID 82709732) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine
PubChem CID82709732
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2)7-15-14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRFDUGTPRVRSNTB-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
N,N-dimethyl-4-[(2-methylpropoxyamino)methyl]aniline
CID 82710734
N-(2-methylpropoxy)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 82709084
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1-[(3,4-difluorophenyl)methylamino]-3-ethoxypropan-2-ol
CID 63933180
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795
1-[(3,4-difluorophenyl)methyl]-3-(2-methylpropyl)thiourea
CID 115593160
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine (CID 82709732) is 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine is CC(C)CONCc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine?
The InChIKey is RFDUGTPRVRSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(2)7-15-14-6-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine?
1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine has a molecular weight of 215.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82709732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).