1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C15H18ClNO — CID 115483955

IUPAC1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1occc1C
InChIInChI=1S/C15H18ClNO/c1-9-5-6-18-15(9)14(17-4)12-7-10(2)11(3)8-13(12)16/h5-8,14,17H,1-4H3
InChIKeyCNORQSRQOWMOIC-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 115483955) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID115483955
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1cc(C)c(C)cc1Cl)c1occc1C
InChIInChI=1S/C15H18ClNO/c1-9-5-6-18-15(9)14(17-4)12-7-10(2)11(3)8-13(12)16/h5-8,14,17H,1-4H3
InChIKeyCNORQSRQOWMOIC-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43486324
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104545449
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121
1-(2-chloro-4,5-dimethylphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220536
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 115483955) is 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1cc(C)c(C)cc1Cl)c1occc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is CNORQSRQOWMOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9-5-6-18-15(9)14(17-4)12-7-10(2)11(3)8-13(12)16/h5-8,14,17H,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 263.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 115483955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).