1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H19Cl2NO — CID 57467189

IUPAC1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C18H19Cl2NO/c1-22-13-5-3-12-4-7-18(21)15(14(12)10-13)8-11-2-6-16(19)17(20)9-11/h2-3,5-6,9-10,15,18H,4,7-8,21H2,1H3
InChIKeyHYHRUSFUBATHEF-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.60
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 57467189) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID57467189
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C18H19Cl2NO/c1-22-13-5-3-12-4-7-18(21)15(14(12)10-13)8-11-2-6-16(19)17(20)9-11/h2-3,5-6,9-10,15,18H,4,7-8,21H2,1H3
InChIKeyHYHRUSFUBATHEF-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
1-[(3,4-dichlorophenyl)methyl]-7-(3-propan-2-ylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158713128
1-[(3,4-dichlorophenyl)methyl]-7-(3-pentylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158894025
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467247
7-[3-(2-cyclopropylethylsulfonyl)propoxy]-1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 159693298
1-[(3,4-dichlorophenyl)methyl]-7-[3-(2-ethoxyethylsulfonyl)propoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 158126424
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
CID 57471180
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-[[8-[(3,4-dichlorophenyl)methyl]-7-formamido-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 87480437
N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
CID 141403649
1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
CID 59547808
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 57467189) is 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HYHRUSFUBATHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-22-13-5-3-12-4-7-18(21)15(14(12)10-13)8-11-2-6-16(19)17(20)9-11/h2-3,5-6,9-10,15,18H,4,7-8,21H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 57467189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).