N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C15H25FN2O — CID 43090366

IUPACN'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(CNCC(C)(C)CN(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-15(2,11-18(3)4)10-17-9-12-6-7-14(19-5)13(16)8-12/h6-8,17H,9-11H2,1-5H3
InChIKeyVBVRYTWTYLJKNT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.51
Rot. Bonds7

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

N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43090366) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43090366
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(CNCC(C)(C)CN(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-15(2,11-18(3)4)10-17-9-12-6-7-14(19-5)13(16)8-12/h6-8,17H,9-11H2,1-5H3
InChIKeyVBVRYTWTYLJKNT-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60590203
1-(dimethylamino)-3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838837
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 28613557
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60590100
N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62278153
N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400
methyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-fluorobenzoate
CID 106149213
6-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287200

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43090366) is N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is COc1ccc(CNCC(C)(C)CN(C)C)cc1F.
What is the InChIKey of N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VBVRYTWTYLJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-15(2,11-18(3)4)10-17-9-12-6-7-14(19-5)13(16)8-12/h6-8,17H,9-11H2,1-5H3.
What are the key properties of N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43090366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).