N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H21FN2 — CID 65378148

IUPACN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)Nc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyXUVCAQRRXWNXEN-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.06
Rot. Bonds5

About N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 65378148) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID65378148
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(CN)Nc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyXUVCAQRRXWNXEN-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43095350
1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 103569661
2-(4-chlorophenyl)-2-(2-fluoroanilino)ethanol
CID 61050485
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
1-(2,5-difluorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377111
1-(4-tert-butylphenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65379394

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 65378148) is N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(C(CN)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is XUVCAQRRXWNXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12(2)13-7-9-14(10-8-13)17(11-19)20-16-6-4-3-5-15(16)18/h3-10,12,17,20H,11,19H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65378148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).