N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine

C18H24N2 — CID 62550641

IUPACN-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2/c1-4-10-20-18(13-17-7-5-6-11-19-17)16-9-8-14(2)15(3)12-16/h5-9,11-12,18,20H,4,10,13H2,1-3H3
InChIKeyKBSAKWNMZVMAPC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine

N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 62550641) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID62550641
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2/c1-4-10-20-18(13-17-7-5-6-11-19-17)16-9-8-14(2)15(3)12-16/h5-9,11-12,18,20H,4,10,13H2,1-3H3
InChIKeyKBSAKWNMZVMAPC-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 107989076
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine (CID 62550641) is N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is KBSAKWNMZVMAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-10-20-18(13-17-7-5-6-11-19-17)16-9-8-14(2)15(3)12-16/h5-9,11-12,18,20H,4,10,13H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 62550641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).