N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C17H21ClF2N2 — CID 120871833

IUPACN'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2.ClH/c18-16-7-6-15(17(19)12-16)13-21(11-9-20)10-8-14-4-2-1-3-5-14;/h1-7,12H,8-11,13,20H2;1H
InChIKeyNFCRLZRAHUUQNA-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.39
Rot. Bonds7

About N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120871833) has the molecular formula C17H21ClF2N2 and a molecular weight of 326.82 g/mol. Its IUPAC name is N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120871833
Molecular FormulaC17H21ClF2N2
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2.ClH/c18-16-7-6-15(17(19)12-16)13-21(11-9-20)10-8-14-4-2-1-3-5-14;/h1-7,12H,8-11,13,20H2;1H
InChIKeyNFCRLZRAHUUQNA-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209
N'-[(6-fluoroquinolin-8-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912960
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
2-[[2-aminoethyl(benzyl)amino]methyl]-5-fluorobenzonitrile
CID 106511586
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871998
N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
CID 23967601
3-fluoro-4-[[2-hydroxyethyl(2-phenylethyl)amino]methyl]benzonitrile
CID 111121872
N'-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912594
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912828
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120871833) is N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cl.NCCN(CCc1ccccc1)Cc1ccc(F)cc1F.
What is the InChIKey of N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is NFCRLZRAHUUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2.ClH/c18-16-7-6-15(17(19)12-16)13-21(11-9-20)10-8-14-4-2-1-3-5-14;/h1-7,12H,8-11,13,20H2;1H.
What are the key properties of N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 3.39, 7 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'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120871833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).