N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C17H20N2O — CID 137460717

IUPACN,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCN(C)C[C@H]1OCCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C17H20N2O/c1-19(2)12-17-16-5-3-4-14(15(16)8-11-20-17)13-6-9-18-10-7-13/h3-7,9-10,17H,8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyRHMFEKPUAJCXQR-QGZVFWFLSA-N
MW268.36 g/mol
LogP2.92
Rot. Bonds3

About N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460717) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460717
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCN(C)C[C@H]1OCCc2c(-c3ccncc3)cccc21
InChIInChI=1S/C17H20N2O/c1-19(2)12-17-16-5-3-4-14(15(16)8-11-20-17)13-6-9-18-10-7-13/h3-7,9-10,17H,8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyRHMFEKPUAJCXQR-QGZVFWFLSA-N
XLogP2.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460717) is N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is CN(C)C[C@H]1OCCc2c(-c3ccncc3)cccc21.
What is the InChIKey of N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is RHMFEKPUAJCXQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)12-17-16-5-3-4-14(15(16)8-11-20-17)13-6-9-18-10-7-13/h3-7,9-10,17H,8,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).