2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine

C22H28F2N2O2 — CID 101034522

IUPAC2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C(C(=C(F)F)C(c2ccc(OC)cc2)N(C)C)N(C)C)cc1
InChIInChI=1S/C22H28F2N2O2/c1-25(2)20(15-7-11-17(27-5)12-8-15)19(22(23)24)21(26(3)4)16-9-13-18(28-6)14-10-16/h7-14,20-21H,1-6H3
InChIKeyQNCURWYCENUZKL-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.76
Rot. Bonds8

About 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine

2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine (PubChem CID 101034522) has the molecular formula C22H28F2N2O2 and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine
PubChem CID101034522
Molecular FormulaC22H28F2N2O2
Molecular Weight390.47 g/mol
Exact Mass390.21
IUPAC Name2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C(C(=C(F)F)C(c2ccc(OC)cc2)N(C)C)N(C)C)cc1
InChIInChI=1S/C22H28F2N2O2/c1-25(2)20(15-7-11-17(27-5)12-8-15)19(22(23)24)21(26(3)4)16-9-13-18(28-6)14-10-16/h7-14,20-21H,1-6H3
InChIKeyQNCURWYCENUZKL-UHFFFAOYSA-N
XLogP4.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 11009737
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine?
The IUPAC name of 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine (CID 101034522) is 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine.
What is the SMILES notation for 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine?
The canonical SMILES for 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine is COc1ccc(C(C(=C(F)F)C(c2ccc(OC)cc2)N(C)C)N(C)C)cc1.
What is the InChIKey of 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine?
The InChIKey is QNCURWYCENUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O2/c1-25(2)20(15-7-11-17(27-5)12-8-15)19(22(23)24)21(26(3)4)16-9-13-18(28-6)14-10-16/h7-14,20-21H,1-6H3.
What are the key properties of 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine?
2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine has a molecular weight of 390.47 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-1,3-bis(4-methoxyphenyl)-N,N,N',N'-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 101034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).