N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

C15H19BrN2O — CID 55089120

IUPACN-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1Br)Cc1ccco1
InChIInChI=1S/C15H19BrN2O/c1-2-18(12-13-6-5-11-19-13)10-9-17-15-8-4-3-7-14(15)16/h3-8,11,17H,2,9-10,12H2,1H3
InChIKeyUIHHLRDFDPGQIG-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.98
Rot. Bonds7

About N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55089120) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID55089120
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNc1ccccc1Br)Cc1ccco1
InChIInChI=1S/C15H19BrN2O/c1-2-18(12-13-6-5-11-19-13)10-9-17-15-8-4-3-7-14(15)16/h3-8,11,17H,2,9-10,12H2,1H3
InChIKeyUIHHLRDFDPGQIG-UHFFFAOYSA-N
XLogP3.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N'-ethyl-N'-(furan-2-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247474
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (CID 55089120) is N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is CCN(CCNc1ccccc1Br)Cc1ccco1.
What is the InChIKey of N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UIHHLRDFDPGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-18(12-13-6-5-11-19-13)10-9-17-15-8-4-3-7-14(15)16/h3-8,11,17H,2,9-10,12H2,1H3.
What are the key properties of N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 323.23 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).