5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine

C16H20ClN3O — CID 114925895

IUPAC5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCCNCc1cc(N(C)c2cccc(OC)c2)ncc1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-18-10-12-8-16(19-11-15(12)17)20(2)13-6-5-7-14(9-13)21-3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyWYAFTJIZQYPYMQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.62
Rot. Bonds6

About 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine

5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 114925895) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID114925895
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCCNCc1cc(N(C)c2cccc(OC)c2)ncc1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-18-10-12-8-16(19-11-15(12)17)20(2)13-6-5-7-14(9-13)21-3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyWYAFTJIZQYPYMQ-UHFFFAOYSA-N
XLogP3.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
3-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-4-amine
CID 81246879
4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 105073319
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 114926024
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62292816

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine (CID 114925895) is 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine is CCNCc1cc(N(C)c2cccc(OC)c2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is WYAFTJIZQYPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-18-10-12-8-16(19-11-15(12)17)20(2)13-6-5-7-14(9-13)21-3/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine?
5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114925895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).