1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride

C20H21BrClNO — CID 19884904

IUPAC1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride
SMILESCNC(CCOc1ccc2ccccc2c1)c1ccccc1Br.Cl
InChIInChI=1S/C20H20BrNO.ClH/c1-22-20(18-8-4-5-9-19(18)21)12-13-23-17-11-10-15-6-2-3-7-16(15)14-17;/h2-11,14,20,22H,12-13H2,1H3;1H
InChIKeyJEPMDENTFFZLCK-UHFFFAOYSA-N
MW406.75 g/mol
LogP5.75
Rot. Bonds6

About 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride

1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride (PubChem CID 19884904) has the molecular formula C20H21BrClNO and a molecular weight of 406.75 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride
PubChem CID19884904
Molecular FormulaC20H21BrClNO
Molecular Weight406.75 g/mol
Exact Mass405.05
IUPAC Name1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride
SMILESCNC(CCOc1ccc2ccccc2c1)c1ccccc1Br.Cl
InChIInChI=1S/C20H20BrNO.ClH/c1-22-20(18-8-4-5-9-19(18)21)12-13-23-17-11-10-15-6-2-3-7-16(15)14-17;/h2-11,14,20,22H,12-13H2,1H3;1H
InChIKeyJEPMDENTFFZLCK-UHFFFAOYSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.75
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
CID 58761521
CID 58761521
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
CID 62802881
1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
CID 19884902
2-(2-methylphenyl)-4-naphthalen-2-yloxybutan-1-amine
CID 82138221
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride (CID 19884904) is 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride is CNC(CCOc1ccc2ccccc2c1)c1ccccc1Br.Cl.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is JEPMDENTFFZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO.ClH/c1-22-20(18-8-4-5-9-19(18)21)12-13-23-17-11-10-15-6-2-3-7-16(15)14-17;/h2-11,14,20,22H,12-13H2,1H3;1H.
What are the key properties of 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride?
1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 406.75 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 19884904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).