N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C15H24F2N2 — CID 115523400

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-15(2,11-19(3)4)10-18-9-12-5-7-13(8-6-12)14(16)17/h5-8,14,18H,9-11H2,1-4H3
InChIKeyVNXOHEMWGQSEJD-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.30
Rot. Bonds7

About N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 115523400) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID115523400
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-15(2,11-19(3)4)10-18-9-12-5-7-13(8-6-12)14(16)17/h5-8,14,18H,9-11H2,1-4H3
InChIKeyVNXOHEMWGQSEJD-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 28613557
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
2-[4-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenoxy]acetonitrile
CID 43220892
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 60871062
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N,N,2,2-tetramethyl-N'-(1,2-oxazol-4-ylmethyl)propane-1,3-diamine
CID 60869612

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 115523400) is N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VNXOHEMWGQSEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-15(2,11-19(3)4)10-18-9-12-5-7-13(8-6-12)14(16)17/h5-8,14,18H,9-11H2,1-4H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 115523400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).