3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

C18H23NO — CID 43101704

IUPAC3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCOc1cccc(NC(C)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C18H23NO/c1-12-9-14(3)18(10-13(12)2)15(4)19-16-7-6-8-17(11-16)20-5/h6-11,15,19H,1-5H3
InChIKeyLWYQQVZBDCPRPS-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.79
Rot. Bonds4

About 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (PubChem CID 43101704) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
PubChem CID43101704
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCOc1cccc(NC(C)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C18H23NO/c1-12-9-14(3)18(10-13(12)2)15(4)19-16-7-6-8-17(11-16)20-5/h6-11,15,19H,1-5H3
InChIKeyLWYQQVZBDCPRPS-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43106119
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CID 55146491
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The IUPAC name of 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (CID 43101704) is 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is COc1cccc(NC(C)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The InChIKey is LWYQQVZBDCPRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-9-14(3)18(10-13(12)2)15(4)19-16-7-6-8-17(11-16)20-5/h6-11,15,19H,1-5H3.
What are the key properties of 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43101704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).