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

C19H26N2 — CID 114878534

IUPACN-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)cccc1C)c1cnccc1C
InChIInChI=1S/C19H26N2/c1-5-10-21-19(18-13-20-11-9-16(18)4)12-17-14(2)7-6-8-15(17)3/h6-9,11,13,19,21H,5,10,12H2,1-4H3
InChIKeyWPYOCWPWNNSTPN-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 114878534) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID114878534
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)cccc1C)c1cnccc1C
InChIInChI=1S/C19H26N2/c1-5-10-21-19(18-13-20-11-9-16(18)4)12-17-14(2)7-6-8-15(17)3/h6-9,11,13,19,21H,5,10,12H2,1-4H3
InChIKeyWPYOCWPWNNSTPN-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-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
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
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
2-(2,6-dichlorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66270996
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003
4-(4-methyl-3-pyridinyl)-N-propylpentan-2-amine
CID 66272751
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 114878534) is N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1c(C)cccc1C)c1cnccc1C.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WPYOCWPWNNSTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-10-21-19(18-13-20-11-9-16(18)4)12-17-14(2)7-6-8-15(17)3/h6-9,11,13,19,21H,5,10,12H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(2,6-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-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 114878534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).