1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine

C14H16ClFN2O — CID 114842877

IUPAC1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccco1)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O/c1-18(9-11-3-2-6-19-11)14(8-17)12-7-10(15)4-5-13(12)16/h2-7,14H,8-9,17H2,1H3
InChIKeyPPMQGRMEKQRUNY-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.20
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine

1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 114842877) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID114842877
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccco1)C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O/c1-18(9-11-3-2-6-19-11)14(8-17)12-7-10(15)4-5-13(12)16/h2-7,14H,8-9,17H2,1H3
InChIKeyPPMQGRMEKQRUNY-UHFFFAOYSA-N
XLogP3.20
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
1-(2-bromo-5-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 66157436
1-(5-chloro-2-fluorophenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114842934
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
CID 114860599
1-(2,5-dichlorophenyl)-2-(furan-2-yl)ethanamine
CID 105029387
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine (CID 114842877) is 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccco1)C(CN)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is PPMQGRMEKQRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-18(9-11-3-2-6-19-11)14(8-17)12-7-10(15)4-5-13(12)16/h2-7,14H,8-9,17H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine?
1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 282.75 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 114842877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).