N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine

C17H21FN2 — CID 43126038

IUPACN-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-2-20(13-14-6-4-3-5-7-14)17(12-19)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13,19H2,1H3
InChIKeyMXERUDRNAJRWIT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.35
Rot. Bonds6

About N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine

N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 43126038) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID43126038
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(CN)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-2-20(13-14-6-4-3-5-7-14)17(12-19)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13,19H2,1H3
InChIKeyMXERUDRNAJRWIT-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43126021
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126076
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
CID 55016540
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine (CID 43126038) is N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine is CCN(Cc1ccccc1)C(CN)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is MXERUDRNAJRWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-20(13-14-6-4-3-5-7-14)17(12-19)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13,19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine?
N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 43126038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).