(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine

C17H21ClN2 — CID 167169300

IUPAC(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCNC[C@@H](Cc1c(C)cccc1Cl)c1ncccc1C
InChIInChI=1S/C17H21ClN2/c1-12-6-4-8-16(18)15(12)10-14(11-19-3)17-13(2)7-5-9-20-17/h4-9,14,19H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyGZGWKOMOYPLJQT-CQSZACIVSA-N
MW288.82 g/mol
LogP3.90
Rot. Bonds5

About (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine

(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine (PubChem CID 167169300) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
PubChem CID167169300
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
SMILESCNC[C@@H](Cc1c(C)cccc1Cl)c1ncccc1C
InChIInChI=1S/C17H21ClN2/c1-12-6-4-8-16(18)15(12)10-14(11-19-3)17-13(2)7-5-9-20-17/h4-9,14,19H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyGZGWKOMOYPLJQT-CQSZACIVSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-6-propylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410379
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857436
(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol
CID 114269012
2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 70611022
(2S)-3-(5-chloro-2-methylphenyl)-2-(3-methyl-2-pyridinyl)propan-1-amine
CID 167169123
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanamine
CID 62602413
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
[2-(4-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209390

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine (CID 167169300) is (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine is CNC[C@@H](Cc1c(C)cccc1Cl)c1ncccc1C.
What is the InChIKey of (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is GZGWKOMOYPLJQT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-6-4-8-16(18)15(12)10-14(11-19-3)17-13(2)7-5-9-20-17/h4-9,14,19H,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine?
(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 167169300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).