N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

C19H26N2 — CID 66274194

IUPACN-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)c1cnccc1C
InChIInChI=1S/C19H26N2/c1-5-7-21-19(18-13-20-8-6-16(18)4)12-17-10-14(2)9-15(3)11-17/h6,8-11,13,19,21H,5,7,12H2,1-4H3
InChIKeyHCJVMVYOJBDADG-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 66274194) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID66274194
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)c1cnccc1C
InChIInChI=1S/C19H26N2/c1-5-7-21-19(18-13-20-8-6-16(18)4)12-17-10-14(2)9-15(3)11-17/h6,8-11,13,19,21H,5,7,12H2,1-4H3
InChIKeyHCJVMVYOJBDADG-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

[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105212681
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63990004
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
CID 114878598
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 66274194) is N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)cc(C)c1)c1cnccc1C.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is HCJVMVYOJBDADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-7-21-19(18-13-20-8-6-16(18)4)12-17-10-14(2)9-15(3)11-17/h6,8-11,13,19,21H,5,7,12H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-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-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).