N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

C15H22N2 — CID 106314718

IUPACN-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(N2CCC=C(C)C2)cc1
InChIInChI=1S/C15H22N2/c1-12-5-4-10-17(11-12)15-8-6-14(7-9-15)13(2)16-3/h5-9,13,16H,4,10-11H2,1-3H3
InChIKeyNJDOGPZNGYJGEZ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.12
Rot. Bonds3

About N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine

N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (PubChem CID 106314718) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
PubChem CID106314718
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(N2CCC=C(C)C2)cc1
InChIInChI=1S/C15H22N2/c1-12-5-4-10-17(11-12)15-8-6-14(7-9-15)13(2)16-3/h5-9,13,16H,4,10-11H2,1-3H3
InChIKeyNJDOGPZNGYJGEZ-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanamine
CID 114172403
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
CID 106314771
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
(1S)-1-[5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanamine
CID 106314654
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-methylethanamine
CID 107455784
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
N-methyl-1-[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973065
1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 114172519
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (CID 106314718) is N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is CNC(C)c1ccc(N2CCC=C(C)C2)cc1.
What is the InChIKey of N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The InChIKey is NJDOGPZNGYJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-5-4-10-17(11-12)15-8-6-14(7-9-15)13(2)16-3/h5-9,13,16H,4,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine has a molecular weight of 230.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 106314718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).