3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine

C15H22N2 — CID 114410803

IUPAC3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
SMILESCC1=CCN(CCC(N)c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-13-7-10-17(11-8-13)12-9-15(16)14-5-3-2-4-6-14/h2-7,15H,8-12,16H2,1H3
InChIKeyMMZUQNWFVOIOPG-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.73
Rot. Bonds4

About 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine

3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine (PubChem CID 114410803) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
PubChem CID114410803
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
SMILESCC1=CCN(CCC(N)c2ccccc2)CC1
InChIInChI=1S/C15H22N2/c1-13-7-10-17(11-8-13)12-9-15(16)14-5-3-2-4-6-14/h2-7,15H,8-12,16H2,1H3
InChIKeyMMZUQNWFVOIOPG-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.73
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-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
CID 114410768
1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
CID 114066337
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643238
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
[2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413216
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CID 15102
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine (CID 114410803) is 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine is CC1=CCN(CCC(N)c2ccccc2)CC1.
What is the InChIKey of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine?
The InChIKey is MMZUQNWFVOIOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-7-10-17(11-8-13)12-9-15(16)14-5-3-2-4-6-14/h2-7,15H,8-12,16H2,1H3.
What are the key properties of 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine?
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 114410803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).