N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline

C15H17ClN2O — CID 102905183

IUPACN-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-19-9-7-12-4-2-3-5-15(12)18-10-13-6-8-17-11-14(13)16/h2-6,8,11,18H,7,9-10H2,1H3
InChIKeyHSVDLAGSJLOWPL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.54
Rot. Bonds6

About N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline

N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline (PubChem CID 102905183) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
PubChem CID102905183
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-19-9-7-12-4-2-3-5-15(12)18-10-13-6-8-17-11-14(13)16/h2-6,8,11,18H,7,9-10H2,1H3
InChIKeyHSVDLAGSJLOWPL-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
CID 126794330
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102847648
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline (CID 102905183) is N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCc1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline?
The InChIKey is HSVDLAGSJLOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-9-7-12-4-2-3-5-15(12)18-10-13-6-8-17-11-14(13)16/h2-6,8,11,18H,7,9-10H2,1H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline?
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline has a molecular weight of 276.77 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102905183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).