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

C14H20N2 — CID 104921308

IUPAC(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCC1=CCN(c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C14H20N2/c1-11-7-9-16(10-8-11)14-6-4-3-5-13(14)12(2)15/h3-7,12H,8-10,15H2,1-2H3/t12-/m0/s1
InChIKeyFHXHKCMBVCMBTM-LBPRGKRZSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds2

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

(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (PubChem CID 104921308) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
PubChem CID104921308
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
SMILESCC1=CCN(c2ccccc2[C@H](C)N)CC1
InChIInChI=1S/C14H20N2/c1-11-7-9-16(10-8-11)14-6-4-3-5-13(14)12(2)15/h3-7,12H,8-10,15H2,1-2H3/t12-/m0/s1
InChIKeyFHXHKCMBVCMBTM-LBPRGKRZSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine (CID 104921308) is (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is CC1=CCN(c2ccccc2[C@H](C)N)CC1.
What is the InChIKey of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
The InChIKey is FHXHKCMBVCMBTM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-7-9-16(10-8-11)14-6-4-3-5-13(14)12(2)15/h3-7,12H,8-10,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine?
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 104921308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).