N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine

C15H19ClN2O — CID 55163011

IUPACN-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)C(CN)c1ccoc1
InChIInChI=1S/C15H19ClN2O/c1-11(13-5-3-4-6-14(13)16)18(2)15(9-17)12-7-8-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyYONXLWAVZZHLCS-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine

N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine (PubChem CID 55163011) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
PubChem CID55163011
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)C(CN)c1ccoc1
InChIInChI=1S/C15H19ClN2O/c1-11(13-5-3-4-6-14(13)16)18(2)15(9-17)12-7-8-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyYONXLWAVZZHLCS-UHFFFAOYSA-N
XLogP3.63
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 62980189
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132724
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62978774
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141
3-[1-(2-chlorophenyl)ethyl-methylamino]butanethioamide
CID 62980396

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine (CID 55163011) is N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine is CC(c1ccccc1Cl)N(C)C(CN)c1ccoc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
The InChIKey is YONXLWAVZZHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(13-5-3-4-6-14(13)16)18(2)15(9-17)12-7-8-19-10-12/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine?
N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine has a molecular weight of 278.78 g/mol, XLogP of 3.63, 5 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]-1-(furan-3-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 55163011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).