N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine

C17H20F2N2 — CID 106511356

IUPACN'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1cc(F)cc(F)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H20F2N2/c1-13(15-9-16(18)11-17(19)10-15)21(8-7-20)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12,20H2,1H3
InChIKeyRRKRSBGLUFCASH-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.49
Rot. Bonds6

About N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine

N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 106511356) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID106511356
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
SMILESCC(c1cc(F)cc(F)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C17H20F2N2/c1-13(15-9-16(18)11-17(19)10-15)21(8-7-20)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12,20H2,1H3
InChIKeyRRKRSBGLUFCASH-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine (CID 106511356) is N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine is CC(c1cc(F)cc(F)c1)N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is RRKRSBGLUFCASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-13(15-9-16(18)11-17(19)10-15)21(8-7-20)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12,20H2,1H3.
What are the key properties of N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine?
N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 106511356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).