N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine

C24H28F2N2 — CID 130392767

IUPACN-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNCc1c(F)cccc1F)CNCc1cccc2ccccc12
InChIInChI=1S/C24H28F2N2/c1-2-7-18(15-28-17-22-23(25)12-6-13-24(22)26)14-27-16-20-10-5-9-19-8-3-4-11-21(19)20/h3-6,8-13,18,27-28H,2,7,14-17H2,1H3
InChIKeyDKEUCZQJAPKEAM-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.41
Rot. Bonds10

About N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine

N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine (PubChem CID 130392767) has the molecular formula C24H28F2N2 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
PubChem CID130392767
Molecular FormulaC24H28F2N2
Molecular Weight382.50 g/mol
Exact Mass382.22
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNCc1c(F)cccc1F)CNCc1cccc2ccccc12
InChIInChI=1S/C24H28F2N2/c1-2-7-18(15-28-17-22-23(25)12-6-13-24(22)26)14-27-16-20-10-5-9-19-8-3-4-11-21(19)20/h3-6,8-13,18,27-28H,2,7,14-17H2,1H3
InChIKeyDKEUCZQJAPKEAM-UHFFFAOYSA-N
XLogP5.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-chloro-N-[(2,6-difluorophenyl)methyl]pentan-1-amine
CID 114934225
2-[(2,6-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 114933368
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
2-[(2,6-difluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 114933374
1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61043808
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine (CID 130392767) is N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine is CCCC(CNCc1c(F)cccc1F)CNCc1cccc2ccccc12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine?
The InChIKey is DKEUCZQJAPKEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2/c1-2-7-18(15-28-17-22-23(25)12-6-13-24(22)26)14-27-16-20-10-5-9-19-8-3-4-11-21(19)20/h3-6,8-13,18,27-28H,2,7,14-17H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine?
N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine has a molecular weight of 382.50 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N'-(naphthalen-1-ylmethyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 130392767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).