N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine

C14H17BrN2O — CID 63208098

IUPACN-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)C(CN)c1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(9-11-3-2-4-13(15)7-11)14(8-16)12-5-6-18-10-12/h2-7,10,14H,8-9,16H2,1H3
InChIKeyJGVUUIQZPKCAJG-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.17
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine

N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine (PubChem CID 63208098) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
PubChem CID63208098
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
SMILESCN(Cc1cccc(Br)c1)C(CN)c1ccoc1
InChIInChI=1S/C14H17BrN2O/c1-17(9-11-3-2-4-13(15)7-11)14(8-16)12-5-6-18-10-12/h2-7,10,14H,8-9,16H2,1H3
InChIKeyJGVUUIQZPKCAJG-UHFFFAOYSA-N
XLogP3.17
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
N-[(3-bromophenyl)methyl]-1-(3-fluorophenyl)-N-methylethane-1,2-diamine
CID 61415282
N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
CID 62085068
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
N-(furan-3-ylmethyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61422376
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine (CID 63208098) is N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine is CN(Cc1cccc(Br)c1)C(CN)c1ccoc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The InChIKey is JGVUUIQZPKCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17(9-11-3-2-4-13(15)7-11)14(8-16)12-5-6-18-10-12/h2-7,10,14H,8-9,16H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine has a molecular weight of 309.21 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).