N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine

C17H18BrFN2 — CID 104776277

IUPACN-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1ccccc1C1CC1
InChIInChI=1S/C17H18BrFN2/c18-15-9-12(7-8-16(15)19)21-17(10-20)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,17,21H,5-6,10,20H2
InChIKeyXWUWMEBTHLRQRB-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.58
Rot. Bonds5

About N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine

N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine (PubChem CID 104776277) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
PubChem CID104776277
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1ccccc1C1CC1
InChIInChI=1S/C17H18BrFN2/c18-15-9-12(7-8-16(15)19)21-17(10-20)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,17,21H,5-6,10,20H2
InChIKeyXWUWMEBTHLRQRB-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
N-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 104776437
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
N-(2-cyclopropylethyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 79982386
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
N-(3-bromo-4-fluorophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 104776377
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine (CID 104776277) is N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine is NCC(Nc1ccc(F)c(Br)c1)c1ccccc1C1CC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
The InChIKey is XWUWMEBTHLRQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-9-12(7-8-16(15)19)21-17(10-20)14-4-2-1-3-13(14)11-5-6-11/h1-4,7-9,11,17,21H,5-6,10,20H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine?
N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine has a molecular weight of 349.25 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104776277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).