N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine

C13H14ClNO — CID 60659041

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1ccc(Cl)o1
InChIInChI=1S/C13H14ClNO/c1-10-4-2-3-5-11(10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3
InChIKeyGIBVPQLHUUAFQO-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.53
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine

N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine (PubChem CID 60659041) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
PubChem CID60659041
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1ccc(Cl)o1
InChIInChI=1S/C13H14ClNO/c1-10-4-2-3-5-11(10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3
InChIKeyGIBVPQLHUUAFQO-UHFFFAOYSA-N
XLogP3.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
1-(5-chlorofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78911556
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine (CID 60659041) is N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine is Cc1ccccc1CNCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine?
The InChIKey is GIBVPQLHUUAFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-10-4-2-3-5-11(10)8-15-9-12-6-7-13(14)16-12/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine?
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine has a molecular weight of 235.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 60659041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).