N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

C16H21ClN2O — CID 62984222

IUPACN'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)CCNCc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-13(15-7-3-4-8-16(15)17)19(2)10-9-18-12-14-6-5-11-20-14/h3-8,11,13,18H,9-10,12H2,1-2H3
InChIKeyNSUKKQONJXQVFT-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.72
Rot. Bonds7

About N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62984222) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62984222
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)CCNCc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-13(15-7-3-4-8-16(15)17)19(2)10-9-18-12-14-6-5-11-20-14/h3-8,11,13,18H,9-10,12H2,1-2H3
InChIKeyNSUKKQONJXQVFT-UHFFFAOYSA-N
XLogP3.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62985277
N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 112666114
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-(2-chlorophenyl)-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylethanamine
CID 62983851
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 62984222) is N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is CC(c1ccccc1Cl)N(C)CCNCc1ccco1.
What is the InChIKey of N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is NSUKKQONJXQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-13(15-7-3-4-8-16(15)17)19(2)10-9-18-12-14-6-5-11-20-14/h3-8,11,13,18H,9-10,12H2,1-2H3.
What are the key properties of N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62984222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).