4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

C16H26F2N2O — CID 43185277

IUPAC4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N(C)C(C)(CN)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H26F2N2O/c1-12(2)20(4)16(3,11-19)10-9-13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15H,9-11,19H2,1-4H3
InChIKeyIKILTHHYHCAHDL-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.28
Rot. Bonds8

About 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine

4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 43185277) has the molecular formula C16H26F2N2O and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID43185277
Molecular FormulaC16H26F2N2O
Molecular Weight300.39 g/mol
Exact Mass300.20
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)N(C)C(C)(CN)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H26F2N2O/c1-12(2)20(4)16(3,11-19)10-9-13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15H,9-11,19H2,1-4H3
InChIKeyIKILTHHYHCAHDL-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
CID 61453212
2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
CID 62072234
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylethane-1,2-diamine
CID 62682370
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]-N'-methylpropane-1,3-diamine
CID 115318689

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine (CID 43185277) is 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is CC(C)N(C)C(C)(CN)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is IKILTHHYHCAHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2O/c1-12(2)20(4)16(3,11-19)10-9-13-5-7-14(8-6-13)21-15(17)18/h5-8,12,15H,9-11,19H2,1-4H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine?
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 300.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 43185277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).