N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C12H18ClFN2 — CID 114849823

IUPACN'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2/c1-9(2)16(6-5-15)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyUVNXUQCMZAXKJW-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.65
Rot. Bonds5

About N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 114849823) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID114849823
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC NameN'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2/c1-9(2)16(6-5-15)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyUVNXUQCMZAXKJW-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 114859419
3-fluoro-4-[[propan-2-yl(propyl)amino]methyl]benzenecarbothioamide
CID 43269585
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
3-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 65317902
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
CID 62021731
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 55183128
N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 80670345
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880050
3-[(4-chloro-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 115630959

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 114849823) is N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)Cc1ccc(Cl)cc1F.
What is the InChIKey of N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is UVNXUQCMZAXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2/c1-9(2)16(6-5-15)8-10-3-4-11(13)7-12(10)14/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 244.74 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-2-fluorophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 114849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).