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

C19H26N2 — CID 43767139

IUPAC3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCc2ccccc2)c(C)n1
InChIInChI=1S/C19H26N2/c1-14-13-15(2)21-17(4)19(14)16(3)20-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,16,20H,8,11-12H2,1-4H3
InChIKeyWCXWHGHHGXLHDD-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.29
Rot. Bonds6

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

3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 43767139) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID43767139
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cc(C)c(C(C)NCCCc2ccccc2)c(C)n1
InChIInChI=1S/C19H26N2/c1-14-13-15(2)21-17(4)19(14)16(3)20-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,16,20H,8,11-12H2,1-4H3
InChIKeyWCXWHGHHGXLHDD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[1-(3-phenylpropylamino)ethyl]benzenethiol;hydrochloride
CID 140973332
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 103917395
N-(furan-3-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 115903409
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
3-(3-phenylpropylamino)butanenitrile
CID 60905257

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine (CID 43767139) is 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is Cc1cc(C)c(C(C)NCCCc2ccccc2)c(C)n1.
What is the InChIKey of 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WCXWHGHHGXLHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-13-15(2)21-17(4)19(14)16(3)20-12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,16,20H,8,11-12H2,1-4H3.
What are the key properties of 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine?
3-phenyl-N-[1-(2,4,6-trimethyl-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 3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 43767139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).