N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine

C20H21FN2 — CID 57279537

IUPACN'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21FN2/c1-2-23(14-20(22)16-7-10-18(21)11-8-16)19-12-9-15-5-3-4-6-17(15)13-19/h3-13,20H,2,14,22H2,1H3
InChIKeyNYWRGPKFZWUIDG-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.51
Rot. Bonds5

About N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine

N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine (PubChem CID 57279537) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
PubChem CID57279537
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC NameN'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H21FN2/c1-2-23(14-20(22)16-7-10-18(21)11-8-16)19-12-9-15-5-3-4-6-17(15)13-19/h3-13,20H,2,14,22H2,1H3
InChIKeyNYWRGPKFZWUIDG-UHFFFAOYSA-N
XLogP4.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
CID 160513192
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
CID 43295722
N,N-diethyl-4-fluoroaniline
CID 592416
1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 16786557
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287798

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine (CID 57279537) is N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine is CCN(CC(N)c1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine?
The InChIKey is NYWRGPKFZWUIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-2-23(14-20(22)16-7-10-18(21)11-8-16)19-12-9-15-5-3-4-6-17(15)13-19/h3-13,20H,2,14,22H2,1H3.
What are the key properties of N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine?
N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine has a molecular weight of 308.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 57279537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).