N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

C15H23F2NO — CID 105142084

IUPACN-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-5-6-18-14(10-19-15(2,3)4)11-7-12(16)9-13(17)8-11/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyRFVSRALTXTWZID-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.82
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine

N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (PubChem CID 105142084) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
PubChem CID105142084
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-5-6-18-14(10-19-15(2,3)4)11-7-12(16)9-13(17)8-11/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyRFVSRALTXTWZID-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-tert-butylsulfanyl-1-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 65132746
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[1-(3-bromo-5-fluorophenyl)-2-methoxyethyl]propan-1-amine
CID 79574917
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
CID 115351216
N-[1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105166827
1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine (CID 105142084) is N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is CCCNC(COC(C)(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
The InChIKey is RFVSRALTXTWZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-6-18-14(10-19-15(2,3)4)11-7-12(16)9-13(17)8-11/h7-9,14,18H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine?
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine is sourced from PubChem (CID 105142084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).