1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride

C12H13Cl2NO — CID 6473590

IUPAC1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(-c2ccccc2Cl)o1.Cl
InChIInChI=1S/C12H12ClNO.ClH/c1-14-8-9-6-7-12(15-9)10-4-2-3-5-11(10)13;/h2-7,14H,8H2,1H3;1H
InChIKeyCWIIWEKBJAPSCP-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.74
Rot. Bonds3

About 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride

1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 6473590) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID6473590
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(-c2ccccc2Cl)o1.Cl
InChIInChI=1S/C12H12ClNO.ClH/c1-14-8-9-6-7-12(15-9)10-4-2-3-5-11(10)13;/h2-7,14H,8H2,1H3;1H
InChIKeyCWIIWEKBJAPSCP-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
CID 43624907
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
CID 18778312
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211422
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66528110

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride (CID 6473590) is 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride is CNCc1ccc(-c2ccccc2Cl)o1.Cl.
What is the InChIKey of 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is CWIIWEKBJAPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO.ClH/c1-14-8-9-6-7-12(15-9)10-4-2-3-5-11(10)13;/h2-7,14H,8H2,1H3;1H.
What are the key properties of 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride?
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 258.15 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 6473590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).