3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine

C17H22ClN3 — CID 62289541

IUPAC3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccccc2C)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-4-19-10-14-9-16(18)17(20-11-14)21(3)12-15-8-6-5-7-13(15)2/h5-9,11,19H,4,10,12H2,1-3H3
InChIKeyFOLLGXWEVURUOK-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.79
Rot. Bonds6

About 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine (PubChem CID 62289541) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
PubChem CID62289541
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccccc2C)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-4-19-10-14-9-16(18)17(20-11-14)21(3)12-15-8-6-5-7-13(15)2/h5-9,11,19H,4,10,12H2,1-3H3
InChIKeyFOLLGXWEVURUOK-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 62289802
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
3-chloro-5-(ethylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284271
3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 62293024
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 63683088
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 55054577

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine (CID 62289541) is 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine is CCNCc1cnc(N(C)Cc2ccccc2C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is FOLLGXWEVURUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-19-10-14-9-16(18)17(20-11-14)21(3)12-15-8-6-5-7-13(15)2/h5-9,11,19H,4,10,12H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62289541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).