N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C20H27N — CID 43491156

IUPACN-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H27N/c1-7-21-20(18-10-8-9-14(3)17(18)6)19-15(4)11-13(2)12-16(19)5/h8-12,20-21H,7H2,1-6H3
InChIKeyLZEOBKCJPMRSMU-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.93
Rot. Bonds4

About N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 43491156) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID43491156
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H27N/c1-7-21-20(18-10-8-9-14(3)17(18)6)19-15(4)11-13(2)12-16(19)5/h8-12,20-21H,7H2,1-6H3
InChIKeyLZEOBKCJPMRSMU-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 65308141
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 43491156) is N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is LZEOBKCJPMRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-7-21-20(18-10-8-9-14(3)17(18)6)19-15(4)11-13(2)12-16(19)5/h8-12,20-21H,7H2,1-6H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).