N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

C19H26N2 — CID 66459041

IUPACN-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1cccc(C)c1C
InChIInChI=1S/C19H26N2/c1-5-11-20-19(12-17-10-9-14(2)13-21-17)18-8-6-7-15(3)16(18)4/h6-10,13,19-20H,5,11-12H2,1-4H3
InChIKeyYDPKIDFFMFRGGC-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.29
Rot. Bonds6

About N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 66459041) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID66459041
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1cccc(C)c1C
InChIInChI=1S/C19H26N2/c1-5-11-20-19(12-17-10-9-14(2)13-21-17)18-8-6-7-15(3)16(18)4/h6-10,13,19-20H,5,11-12H2,1-4H3
InChIKeyYDPKIDFFMFRGGC-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459042
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
N-[1-(2-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036208
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79088664

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 66459041) is N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1cccc(C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is YDPKIDFFMFRGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-11-20-19(12-17-10-9-14(2)13-21-17)18-8-6-7-15(3)16(18)4/h6-10,13,19-20H,5,11-12H2,1-4H3.
What are the key properties of N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66459041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).