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

C18H24N2 — CID 105096996

IUPACN-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cccnc1C
InChIInChI=1S/C18H24N2/c1-5-8-20-18(17-7-6-9-19-15(17)4)16-11-13(2)10-14(3)12-16/h6-7,9-12,18,20H,5,8H2,1-4H3
InChIKeyHIICBPKTKWSTPB-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.10
Rot. Bonds5

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

N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105096996) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105096996
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cccnc1C
InChIInChI=1S/C18H24N2/c1-5-8-20-18(17-7-6-9-19-15(17)4)16-11-13(2)10-14(3)12-16/h6-7,9-12,18,20H,5,8H2,1-4H3
InChIKeyHIICBPKTKWSTPB-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(3,4-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105140352
N-[(2-methoxy-3-pyridinyl)-(3-methylphenyl)methyl]propan-1-amine
CID 105090915
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105165101
N-[(3,4-difluorophenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105145632
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105096996) is N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)c1cccnc1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HIICBPKTKWSTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-8-20-18(17-7-6-9-19-15(17)4)16-11-13(2)10-14(3)12-16/h6-7,9-12,18,20H,5,8H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105096996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).