N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide

C18H22BrNO — CID 20560227

IUPACN,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
SMILESBr.CN(C)CC1CC(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C18H21NO.BrH/c1-19(2)13-15-12-17(14-8-4-3-5-9-14)16-10-6-7-11-18(16)20-15;/h3-11,15,17H,12-13H2,1-2H3;1H
InChIKeyVGMGTBAYYCZZNH-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.11
Rot. Bonds3

About N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide

N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide (PubChem CID 20560227) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
PubChem CID20560227
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
SMILESBr.CN(C)CC1CC(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C18H21NO.BrH/c1-19(2)13-15-12-17(14-8-4-3-5-9-14)16-10-6-7-11-18(16)20-15;/h3-11,15,17H,12-13H2,1-2H3;1H
InChIKeyVGMGTBAYYCZZNH-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide 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-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide?
The IUPAC name of N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide (CID 20560227) is N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide?
The canonical SMILES for N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide is Br.CN(C)CC1CC(c2ccccc2)c2ccccc2O1.
What is the InChIKey of N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide?
The InChIKey is VGMGTBAYYCZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.BrH/c1-19(2)13-15-12-17(14-8-4-3-5-9-14)16-10-6-7-11-18(16)20-15;/h3-11,15,17H,12-13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide?
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide has a molecular weight of 348.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide is sourced from PubChem (CID 20560227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).