(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO — CID 118023139

IUPAC(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2
InChIInChI=1S/C18H21NO/c1-20-15-9-7-14-8-10-18(19)17(16(14)12-15)11-13-5-3-2-4-6-13/h2-7,9,12,17-18H,8,10-11,19H2,1H3/t17-,18+/m1/s1
InChIKeyKMMLYBQYDWYPBQ-MSOLQXFVSA-N
MW267.37 g/mol
LogP3.30
Rot. Bonds3

About (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 118023139) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID118023139
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2
InChIInChI=1S/C18H21NO/c1-20-15-9-7-14-8-10-18(19)17(16(14)12-15)11-13-5-3-2-4-6-13/h2-7,9,12,17-18H,8,10-11,19H2,1H3/t17-,18+/m1/s1
InChIKeyKMMLYBQYDWYPBQ-MSOLQXFVSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
1-benzyl-7-(3-cyclopropylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 161388678
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140
1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
CID 59547808
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159439876
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
1-benzyl-7-[2-(cyclopropylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;propane-1-sulfonic acid
CID 172817222

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 118023139) is (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2.
What is the InChIKey of (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KMMLYBQYDWYPBQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-15-9-7-14-8-10-18(19)17(16(14)12-15)11-13-5-3-2-4-6-13/h2-7,9,12,17-18H,8,10-11,19H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 118023139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).