1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine

C13H14ClNO — CID 43624782

IUPAC1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C)cc2Cl)o1
InChIInChI=1S/C13H14ClNO/c1-9-3-5-11(12(14)7-9)13-6-4-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyJKTRIMNPLPFIOO-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.63
Rot. Bonds3

About 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine

1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 43624782) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID43624782
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(C)cc2Cl)o1
InChIInChI=1S/C13H14ClNO/c1-9-3-5-11(12(14)7-9)13-6-4-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyJKTRIMNPLPFIOO-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624822
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624832
1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
CID 43624907
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethanamine
CID 62498412
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 107626763
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]propan-1-one
CID 62632388
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine (CID 43624782) is 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(C)cc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is JKTRIMNPLPFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-3-5-11(12(14)7-9)13-6-4-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43624782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).