1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C15H18ClNO — CID 81323562

IUPAC1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1cc(C)oc1C
InChIInChI=1S/C15H18ClNO/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3
InChIKeyNDMPRLUPGSCDID-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.17
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 81323562) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID81323562
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(Cl)c1)c1cc(C)oc1C
InChIInChI=1S/C15H18ClNO/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3
InChIKeyNDMPRLUPGSCDID-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

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323089
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
(1S)-1-(3-chloro-5-methylphenyl)-N-methylethanamine
CID 130671218
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 81323562) is 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1cc(C)cc(Cl)c1)c1cc(C)oc1C.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is NDMPRLUPGSCDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9-5-12(8-13(16)6-9)15(17-4)14-7-10(2)18-11(14)3/h5-8,15,17H,1-4H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine 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-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 81323562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).