N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine

C15H23F2NO — CID 115526053

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)11-19-8-4-7-18-10-13-5-3-6-14(9-13)15(16)17/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3
InChIKeyFPGJABLVZFVMAP-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.78
Rot. Bonds9

About N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine

N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 115526053) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID115526053
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1cccc(C(F)F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)11-19-8-4-7-18-10-13-5-3-6-14(9-13)15(16)17/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3
InChIKeyFPGJABLVZFVMAP-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681813
N-[3-[[3-(difluoromethyl)phenyl]methylamino]propyl]methanesulfonamide
CID 106333003
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409145
3-[[2-(2-methylpropoxy)ethylamino]methyl]benzonitrile
CID 113224473
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
N-[[3-(difluoromethyl)phenyl]methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 113328744

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine (CID 115526053) is N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is FPGJABLVZFVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-12(2)11-19-8-4-7-18-10-13-5-3-6-14(9-13)15(16)17/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 115526053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).