N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline

C16H20N2O — CID 104749489

IUPACN-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C)nc2)c1
InChIInChI=1S/C16H20N2O/c1-3-9-19-16-6-4-5-15(10-16)18-12-14-8-7-13(2)17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3
InChIKeyRUWRNMLKYGZGSA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.79
Rot. Bonds6

About N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline

N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline (PubChem CID 104749489) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
PubChem CID104749489
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C)nc2)c1
InChIInChI=1S/C16H20N2O/c1-3-9-19-16-6-4-5-15(10-16)18-12-14-8-7-13(2)17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3
InChIKeyRUWRNMLKYGZGSA-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-[(4-methylsulfanylphenyl)methyl]-3-propoxyaniline
CID 43435807
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
N-[(3-chloro-4-methoxyphenyl)methyl]-3-propoxyaniline
CID 65022702
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
3-[(3-propoxyanilino)methyl]benzonitrile
CID 43435811
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline (CID 104749489) is N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccc(C)nc2)c1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline?
The InChIKey is RUWRNMLKYGZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-9-19-16-6-4-5-15(10-16)18-12-14-8-7-13(2)17-11-14/h4-8,10-11,18H,3,9,12H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline?
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline has a molecular weight of 256.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline is sourced from PubChem (CID 104749489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).