N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine

C19H26N2 — CID 115604781

IUPACN-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1ccc(C)nc1C
InChIInChI=1S/C19H26N2/c1-5-13-20-19(17-10-8-16(6-2)9-11-17)18-12-7-14(3)21-15(18)4/h7-12,19-20H,5-6,13H2,1-4H3
InChIKeyITJDGGSKIRNWAQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.35
Rot. Bonds6

About N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine

N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine (PubChem CID 115604781) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
PubChem CID115604781
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1ccc(C)nc1C
InChIInChI=1S/C19H26N2/c1-5-13-20-19(17-10-8-16(6-2)9-11-17)18-12-7-14(3)21-15(18)4/h7-12,19-20H,5-6,13H2,1-4H3
InChIKeyITJDGGSKIRNWAQ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine
CID 115604747
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(4-chloro-2-fluorophenyl)-(2,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 105173619
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[(4-ethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55221471
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
N-[(2,6-dimethyl-3-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092816
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144184

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine (CID 115604781) is N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)c1ccc(C)nc1C.
What is the InChIKey of N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine?
The InChIKey is ITJDGGSKIRNWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-13-20-19(17-10-8-16(6-2)9-11-17)18-12-7-14(3)21-15(18)4/h7-12,19-20H,5-6,13H2,1-4H3.
What are the key properties of N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine?
N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).