1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine

C15H23F2NO — CID 105013922

IUPAC1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(OC(F)F)cc1)C(CC)CC
InChIInChI=1S/C15H23F2NO/c1-4-11(5-2)14(18-6-3)12-7-9-13(10-8-12)19-15(16)17/h7-11,14-15,18H,4-6H2,1-3H3
InChIKeyCUGHIZGGZSNBTN-UHFFFAOYSA-N
MW271.35 g/mol
LogP4.37
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine

1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine (PubChem CID 105013922) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
PubChem CID105013922
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(OC(F)F)cc1)C(CC)CC
InChIInChI=1S/C15H23F2NO/c1-4-11(5-2)14(18-6-3)12-7-9-13(10-8-12)19-15(16)17/h7-11,14-15,18H,4-6H2,1-3H3
InChIKeyCUGHIZGGZSNBTN-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
2-(aminomethyl)-1-[4-(difluoromethoxy)phenyl]butan-1-ol
CID 79135604
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine (CID 105013922) is 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine is CCNC(c1ccc(OC(F)F)cc1)C(CC)CC.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine?
The InChIKey is CUGHIZGGZSNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-11(5-2)14(18-6-3)12-7-9-13(10-8-12)19-15(16)17/h7-11,14-15,18H,4-6H2,1-3H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine?
1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 105013922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).