2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine

C14H20N2 — CID 106316761

IUPAC2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
SMILESCC1=CCCN(C(CN)c2ccccc2)C1
InChIInChI=1S/C14H20N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,6-8,14H,5,9-11,15H2,1H3
InChIKeyZPXCPHZWNWDTIM-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine

2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine (PubChem CID 106316761) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
PubChem CID106316761
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
SMILESCC1=CCCN(C(CN)c2ccccc2)C1
InChIInChI=1S/C14H20N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,6-8,14H,5,9-11,15H2,1H3
InChIKeyZPXCPHZWNWDTIM-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.34
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

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63154718
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-phenyl-2-pyrrol-1-ylethanamine
CID 63763733
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine (CID 106316761) is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine is CC1=CCCN(C(CN)c2ccccc2)C1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
The InChIKey is ZPXCPHZWNWDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,6-8,14H,5,9-11,15H2,1H3.
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine?
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine is sourced from PubChem (CID 106316761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).