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

C15H22N2 — CID 114413205

IUPACN-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccc(CN2CC=C(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-13-7-9-17(10-8-13)12-15-5-3-14(4-6-15)11-16-2/h3-7,16H,8-12H2,1-2H3
InChIKeyRWSLMHIIAXKPOU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.56
Rot. Bonds4

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

N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine (PubChem CID 114413205) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
PubChem CID114413205
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
SMILESCNCc1ccc(CN2CC=C(C)CC2)cc1
InChIInChI=1S/C15H22N2/c1-13-7-9-17(10-8-13)12-15-5-3-14(4-6-15)11-16-2/h3-7,16H,8-12H2,1-2H3
InChIKeyRWSLMHIIAXKPOU-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

4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62463358
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114413229
5-chloro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462450
1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59011726
2-methyl-N-[[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413247
2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413319
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704
3-bromo-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462333
5-fluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 114462374

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine (CID 114413205) is N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine is CNCc1ccc(CN2CC=C(C)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
The InChIKey is RWSLMHIIAXKPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-7-9-17(10-8-13)12-15-5-3-14(4-6-15)11-16-2/h3-7,16H,8-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[4-[(4-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-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114413205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).