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

C18H23NO — CID 43489235

IUPACN-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cccc(C)c1C
InChIInChI=1S/C18H23NO/c1-5-19-18(15-9-11-16(20-4)12-10-15)17-8-6-7-13(2)14(17)3/h6-12,18-19H,5H2,1-4H3
InChIKeyJWJVRZAJRRDHCI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds5

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

N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43489235) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID43489235
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cccc(C)c1C
InChIInChI=1S/C18H23NO/c1-5-19-18(15-9-11-16(20-4)12-10-15)17-8-6-7-13(2)14(17)3/h6-12,18-19H,5H2,1-4H3
InChIKeyJWJVRZAJRRDHCI-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
1-[bromo-(4-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 55198176
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 43489235) is N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is JWJVRZAJRRDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19-18(15-9-11-16(20-4)12-10-15)17-8-6-7-13(2)14(17)3/h6-12,18-19H,5H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).