N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine

C14H21F2NO2 — CID 105007943

IUPACN-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-3-9-17-13(10-18-4-2)11-5-7-12(8-6-11)19-14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyCEFAKFRVSIVYRY-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.37
Rot. Bonds9

About N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine

N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine (PubChem CID 105007943) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
PubChem CID105007943
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-3-9-17-13(10-18-4-2)11-5-7-12(8-6-11)19-14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyCEFAKFRVSIVYRY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 105005864
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005241
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-[2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]propan-1-amine
CID 105007866
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine (CID 105007943) is N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine?
The InChIKey is CEFAKFRVSIVYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-9-17-13(10-18-4-2)11-5-7-12(8-6-11)19-14(15)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine?
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 105007943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).