(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine

C18H23ClN2 — CID 167169233

IUPAC(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
SMILESCCc1cccnc1C[C@@H](CNC)c1ccc(Cl)cc1C
InChIInChI=1S/C18H23ClN2/c1-4-14-6-5-9-21-18(14)11-15(12-20-3)17-8-7-16(19)10-13(17)2/h5-10,15,20H,4,11-12H2,1-3H3/t15-/m0/s1
InChIKeyFLCSOOUEYHRZOJ-HNNXBMFYSA-N
MW302.85 g/mol
LogP4.15
Rot. Bonds6

About (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine

(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine (PubChem CID 167169233) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
PubChem CID167169233
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
SMILESCCc1cccnc1C[C@@H](CNC)c1ccc(Cl)cc1C
InChIInChI=1S/C18H23ClN2/c1-4-14-6-5-9-21-18(14)11-15(12-20-3)17-8-7-16(19)10-13(17)2/h5-10,15,20H,4,11-12H2,1-3H3/t15-/m0/s1
InChIKeyFLCSOOUEYHRZOJ-HNNXBMFYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine
CID 165410548
2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine
CID 165410059
2,3-diethylpyridine
CID 14747123
3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
3-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 103041125
1-(2,4-dichloro-5-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733903
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82737650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine (CID 167169233) is (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine is CCc1cccnc1C[C@@H](CNC)c1ccc(Cl)cc1C.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine?
The InChIKey is FLCSOOUEYHRZOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-14-6-5-9-21-18(14)11-15(12-20-3)17-8-7-16(19)10-13(17)2/h5-10,15,20H,4,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine?
(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 167169233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).