1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine

C14H22F2N2O — CID 43268646

IUPAC1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C14H22F2N2O/c1-3-9-18(4-2)12(10-17)11-7-5-6-8-13(11)19-14(15)16/h5-8,12,14H,3-4,9-10,17H2,1-2H3
InChIKeyHCJBOOBORNWAJK-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.02
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine

1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine (PubChem CID 43268646) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
PubChem CID43268646
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccccc1OC(F)F
InChIInChI=1S/C14H22F2N2O/c1-3-9-18(4-2)12(10-17)11-7-5-6-8-13(11)19-14(15)16/h5-8,12,14H,3-4,9-10,17H2,1-2H3
InChIKeyHCJBOOBORNWAJK-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 82043559
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
CID 43294708
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 43268553
1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine
CID 114077689
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine (CID 43268646) is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine?
The InChIKey is HCJBOOBORNWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-3-9-18(4-2)12(10-17)11-7-5-6-8-13(11)19-14(15)16/h5-8,12,14H,3-4,9-10,17H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine?
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine has a molecular weight of 272.34 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).