2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine

C16H24ClNO — CID 55243639

IUPAC2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CN(C)CC1CCCc2ccccc21
InChIInChI=1S/C16H24ClNO/c1-18(11-15(17)12-19-2)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15H,5,7-8,10-12H2,1-2H3
InChIKeyJIISHFHLYMDLKX-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.29
Rot. Bonds6

About 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine

2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine (PubChem CID 55243639) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
PubChem CID55243639
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
SMILESCOCC(Cl)CN(C)CC1CCCc2ccccc21
InChIInChI=1S/C16H24ClNO/c1-18(11-15(17)12-19-2)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15H,5,7-8,10-12H2,1-2H3
InChIKeyJIISHFHLYMDLKX-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine 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

N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
N-(2,3-dihydro-1H-inden-1-ylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 14822623
2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637491
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 66395086
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
N'-methyl-N-(2-methylpropyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 63772976
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine (CID 55243639) is 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine is COCC(Cl)CN(C)CC1CCCc2ccccc21.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
The InChIKey is JIISHFHLYMDLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(11-15(17)12-19-2)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15H,5,7-8,10-12H2,1-2H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine is sourced from PubChem (CID 55243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).