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

C15H22N2 — CID 114172704

IUPACN-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCC=C(C)C2)c1
InChIInChI=1S/C15H22N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,5-7,9,16H,4,8,10-12H2,1-2H3
InChIKeyLYFFCSXJYOGBOK-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.56
Rot. Bonds4

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

N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine (PubChem CID 114172704) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
PubChem CID114172704
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCC=C(C)C2)c1
InChIInChI=1S/C15H22N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,5-7,9,16H,4,8,10-12H2,1-2H3
InChIKeyLYFFCSXJYOGBOK-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 106315075
7-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106314935
N-[[4-fluoro-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 106316895
N-[[3-bromo-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 106316648
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-amine
CID 106315092
N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonylmethyl]phenyl]methyl]ethanamine
CID 106317290

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine (CID 114172704) is N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine is CNCc1cccc(CN2CCC=C(C)C2)c1.
What is the InChIKey of N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The InChIKey is LYFFCSXJYOGBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-5-4-8-17(11-13)12-15-7-3-6-14(9-15)10-16-2/h3,5-7,9,16H,4,8,10-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114172704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).