6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine

C12H16ClNO — CID 105483573

IUPAC6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOCC1(N)CCCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-15-8-12(14)6-2-3-9-7-10(13)4-5-11(9)12/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeySUSCMVZNJSKFTM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.48
Rot. Bonds2

About 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine

6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 105483573) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID105483573
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOCC1(N)CCCc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClNO/c1-15-8-12(14)6-2-3-9-7-10(13)4-5-11(9)12/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeySUSCMVZNJSKFTM-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-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

1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
(1-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 83907370
bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 161269898
ethyl 1-amino-5-chloro-2,3-dihydroindene-1-carboxylate
CID 56646988
methyl 6-chloro-1-cyano-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 139467780
[(1S)-6-chloro-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl 4-methylbenzoate
CID 148786266
1-(methoxymethyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105459157
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
methyl 5-amino-4-[[(1R)-6-chloro-1-(dimethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methoxy]-2-fluorobenzoate
CID 130367674
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 105483573) is 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine is COCC1(N)CCCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is SUSCMVZNJSKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-8-12(14)6-2-3-9-7-10(13)4-5-11(9)12/h4-5,7H,2-3,6,8,14H2,1H3.
What are the key properties of 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine?
6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 105483573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).