N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine

C14H21F2NO2 — CID 82007237

IUPACN-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCOCC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-11(2)17-9-12-3-5-13(6-4-12)19-8-7-18-10-14(15)16/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyFMRJEAYMDOIQCP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.85
Rot. Bonds9

About N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine

N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 82007237) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID82007237
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCOCC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-11(2)17-9-12-3-5-13(6-4-12)19-8-7-18-10-14(15)16/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyFMRJEAYMDOIQCP-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]ethanamine
CID 82007121
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 103081275
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614952
1-butoxy-3-[4-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 107262271
2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
CID 82008841
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106721971
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine (CID 82007237) is N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCOCC(F)F)cc1.
What is the InChIKey of N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is FMRJEAYMDOIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-11(2)17-9-12-3-5-13(6-4-12)19-8-7-18-10-14(15)16/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine?
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 82007237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).