N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine

C18H23FN2 — CID 106511255

IUPACN'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
SMILESCCC(c1cccc(F)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C18H23FN2/c1-2-18(16-9-6-10-17(19)13-16)21(12-11-20)14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14,20H2,1H3
InChIKeyAZDFQAYZJOKESU-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.74
Rot. Bonds7

About N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine

N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine (PubChem CID 106511255) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
PubChem CID106511255
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
SMILESCCC(c1cccc(F)c1)N(CCN)Cc1ccccc1
InChIInChI=1S/C18H23FN2/c1-2-18(16-9-6-10-17(19)13-16)21(12-11-20)14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14,20H2,1H3
InChIKeyAZDFQAYZJOKESU-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 106511356
1-(3-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484279
N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 114872153
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
CID 43126038
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
N'-(2,2-diphenylethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 23967295

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine (CID 106511255) is N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine is CCC(c1cccc(F)c1)N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine?
The InChIKey is AZDFQAYZJOKESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-18(16-9-6-10-17(19)13-16)21(12-11-20)14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14,20H2,1H3.
What are the key properties of N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine?
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.74, 7 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-fluorophenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 106511255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).