3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline

C15H22N2O — CID 82364127

IUPAC3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline
SMILESCC1=CCN(CCCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O/c1-13-6-9-17(10-7-13)8-3-11-18-15-5-2-4-14(16)12-15/h2,4-6,12H,3,7-11,16H2,1H3
InChIKeyVYKJOIXOEQFZCJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.69
Rot. Bonds5

About 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline

3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline (PubChem CID 82364127) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline.

Molecular Properties

Compound Name3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline
PubChem CID82364127
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline
SMILESCC1=CCN(CCCOc2cccc(N)c2)CC1
InChIInChI=1S/C15H22N2O/c1-13-6-9-17(10-7-13)8-3-11-18-15-5-2-4-14(16)12-15/h2,4-6,12H,3,7-11,16H2,1H3
InChIKeyVYKJOIXOEQFZCJ-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
CID 114462596
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
3-[3-(5-methoxy-1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 82164143
3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
4-[3-(3-aminophenoxy)propyl]-3-methylpiperazin-2-one
CID 63595240
[4-[3-(3-aminophenoxy)propyl]morpholin-2-yl]methanol
CID 81205796

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline?
The IUPAC name of 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline (CID 82364127) is 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline.
What is the SMILES notation for 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline?
The canonical SMILES for 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline is CC1=CCN(CCCOc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline?
The InChIKey is VYKJOIXOEQFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13-6-9-17(10-7-13)8-3-11-18-15-5-2-4-14(16)12-15/h2,4-6,12H,3,7-11,16H2,1H3.
What are the key properties of 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline?
3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline has a molecular weight of 246.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline is sourced from PubChem (CID 82364127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).