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

C16H24N2O — CID 114462596

IUPAC[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
SMILESCC1=CCN(CCCOc2cccc(CN)c2)CC1
InChIInChI=1S/C16H24N2O/c1-14-6-9-18(10-7-14)8-3-11-19-16-5-2-4-15(12-16)13-17/h2,4-6,12H,3,7-11,13,17H2,1H3
InChIKeyQIHORGVONWRENE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds6

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

[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine (PubChem CID 114462596) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
PubChem CID114462596
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
SMILESCC1=CCN(CCCOc2cccc(CN)c2)CC1
InChIInChI=1S/C16H24N2O/c1-14-6-9-18(10-7-14)8-3-11-19-16-5-2-4-15(12-16)13-17/h2,4-6,12H,3,7-11,13,17H2,1H3
InChIKeyQIHORGVONWRENE-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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]aniline
CID 82364127
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
4-[3-[3-(aminomethyl)phenoxy]propyl]-1-methyl-1,4-diazepan-2-one
CID 102888609
[3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559129
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
1-[3-[3-(aminomethyl)phenoxy]propyl]-3-propylimidazol-2-one
CID 80579823
[2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413216
4-benzyl-1-(3-phenoxypropyl)-3,6-dihydro-2H-pyridine
CID 97356007
[4-[3-[3-(aminomethyl)phenoxy]propyl]morpholin-2-yl]methanol
CID 81203703

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine (CID 114462596) is [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine is CC1=CCN(CCCOc2cccc(CN)c2)CC1.
What is the InChIKey of [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is QIHORGVONWRENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-6-9-18(10-7-14)8-3-11-19-16-5-2-4-15(12-16)13-17/h2,4-6,12H,3,7-11,13,17H2,1H3.
What are the key properties of [3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine?
[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.57, 6 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]phenyl]methanamine is sourced from PubChem (CID 114462596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).