1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

C17H20BrFN2 — CID 62978774

IUPAC1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrFN2/c1-12(15-5-3-4-6-16(15)19)21(2)17(11-20)13-7-9-14(18)10-8-13/h3-10,12,17H,11,20H2,1-2H3
InChIKeyUMAXVBCIZADUKH-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 62978774) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID62978774
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrFN2/c1-12(15-5-3-4-6-16(15)19)21(2)17(11-20)13-7-9-14(18)10-8-13/h3-10,12,17H,11,20H2,1-2H3
InChIKeyUMAXVBCIZADUKH-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
(1R)-1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81355146
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484872
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
4-(aminomethyl)-3-bromo-2-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylaniline
CID 107532357
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 62979298
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (CID 62978774) is 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is CC(c1ccccc1F)N(C)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is UMAXVBCIZADUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-12(15-5-3-4-6-16(15)19)21(2)17(11-20)13-7-9-14(18)10-8-13/h3-10,12,17H,11,20H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 351.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 62978774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).