N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine

C13H19F2NO2 — CID 64866198

IUPACN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
SMILESCOc1ccc(CCNC(C)C)cc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-9(2)16-7-6-10-4-5-11(17-3)12(8-10)18-13(14)15/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyJRNQFUCECBVQGE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.84
Rot. Bonds7

About N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine (PubChem CID 64866198) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
PubChem CID64866198
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine
SMILESCOc1ccc(CCNC(C)C)cc1OC(F)F
InChIInChI=1S/C13H19F2NO2/c1-9(2)16-7-6-10-4-5-11(17-3)12(8-10)18-13(14)15/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyJRNQFUCECBVQGE-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125593
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111002153
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95282179
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]guanidine
CID 110928047
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1,3-diethylguanidine
CID 110928049
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine (CID 64866198) is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine is COc1ccc(CCNC(C)C)cc1OC(F)F.
What is the InChIKey of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine?
The InChIKey is JRNQFUCECBVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(2)16-7-6-10-4-5-11(17-3)12(8-10)18-13(14)15/h4-5,8-9,13,16H,6-7H2,1-3H3.
What are the key properties of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine?
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine has a molecular weight of 259.30 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]propan-2-amine is sourced from PubChem (CID 64866198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).