1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C13H14ClNO — CID 115651182

IUPAC1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO/c1-10-5-6-16-13(10)9-15-8-11-3-2-4-12(14)7-11/h2-7,15H,8-9H2,1H3
InChIKeyCCITUXJVTQCQPF-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 115651182) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID115651182
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO/c1-10-5-6-16-13(10)9-15-8-11-3-2-4-12(14)7-11/h2-7,15H,8-9H2,1H3
InChIKeyCCITUXJVTQCQPF-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

1-(3,4-difluorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652761
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 70624980
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
1-(3,4-dimethoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651246
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 115651182) is 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is Cc1ccoc1CNCc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is CCITUXJVTQCQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-10-5-6-16-13(10)9-15-8-11-3-2-4-12(14)7-11/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]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 1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 115651182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).