N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine

C17H22ClN3 — CID 105073791

IUPACN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyUATMUQAXGBCWRR-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine

N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (PubChem CID 105073791) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
PubChem CID105073791
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
SMILESCCNCc1ccncc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyUATMUQAXGBCWRR-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073707
[4-[1-(2-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 81238920
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
N-(3,5-dimethylphenyl)-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073467
N-methyl-4-(methylaminomethyl)-N-propan-2-ylpyridin-3-amine
CID 105072723
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyridin-3-amine
CID 105073064
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188
4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 105073319
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine (CID 105073791) is N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is CCNCc1ccncc1N(C)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
The InChIKey is UATMUQAXGBCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-19-11-14-9-10-20-12-17(14)21(3)13(2)15-7-5-6-8-16(15)18/h5-10,12-13,19H,4,11H2,1-3H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine?
N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 105073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).