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

C16H20ClN3O — CID 62293024

IUPAC3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-4-18-10-12-9-15(17)16(19-11-12)20(2)13-5-7-14(21-3)8-6-13/h5-9,11,18H,4,10H2,1-3H3
InChIKeyAZZHVXJAGQMFQL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.62
Rot. Bonds6

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

3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 62293024) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID62293024
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-4-18-10-12-9-15(17)16(19-11-12)20(2)13-5-7-14(21-3)8-6-13/h5-9,11,18H,4,10H2,1-3H3
InChIKeyAZZHVXJAGQMFQL-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

3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294086
5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80638739
2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
CID 80635720
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-5-(chloromethyl)-N-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 63446387
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
3-chloro-5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 62295520
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine (CID 62293024) is 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is CCNCc1cnc(N(C)c2ccc(OC)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is AZZHVXJAGQMFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-18-10-12-9-15(17)16(19-11-12)20(2)13-5-7-14(21-3)8-6-13/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-(4-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 3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62293024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).