2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline

C15H18N2O — CID 43677982

IUPAC2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCOCc1ccccc1NC(C)c1cccnc1
InChIInChI=1S/C15H18N2O/c1-12(13-7-5-9-16-10-13)17-15-8-4-3-6-14(15)11-18-2/h3-10,12,17H,11H2,1-2H3
InChIKeyMTYWKYKDLVKJQP-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.40
Rot. Bonds5

About 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline

2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43677982) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43677982
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCOCc1ccccc1NC(C)c1cccnc1
InChIInChI=1S/C15H18N2O/c1-12(13-7-5-9-16-10-13)17-15-8-4-3-6-14(15)11-18-2/h3-10,12,17H,11H2,1-2H3
InChIKeyMTYWKYKDLVKJQP-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43192339
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline (CID 43677982) is 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline is COCc1ccccc1NC(C)c1cccnc1.
What is the InChIKey of 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is MTYWKYKDLVKJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(13-7-5-9-16-10-13)17-15-8-4-3-6-14(15)11-18-2/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline?
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 242.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43677982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).