N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C14H22F2N2 — CID 79660658

IUPACN'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1ccc(F)cc1F)CC(C)(C)CN
InChIInChI=1S/C14H22F2N2/c1-4-18(10-14(2,3)9-17)8-11-5-6-12(15)7-13(11)16/h5-7H,4,8-10,17H2,1-3H3
InChIKeyYXUPWMFWQBQKSY-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.77
Rot. Bonds6

About N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79660658) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79660658
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1ccc(F)cc1F)CC(C)(C)CN
InChIInChI=1S/C14H22F2N2/c1-4-18(10-14(2,3)9-17)8-11-5-6-12(15)7-13(11)16/h5-7H,4,8-10,17H2,1-3H3
InChIKeyYXUPWMFWQBQKSY-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-bromo-2-fluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660769
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-fluorobenzonitrile
CID 79661502
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79662487
N'-[(2,4-dimethoxyphenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660663
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
CID 79659872
lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane
CID 177191035
N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79659867

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79660658) is N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(Cc1ccc(F)cc1F)CC(C)(C)CN.
What is the InChIKey of N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is YXUPWMFWQBQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-4-18(10-14(2,3)9-17)8-11-5-6-12(15)7-13(11)16/h5-7H,4,8-10,17H2,1-3H3.
What are the key properties of N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79660658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).