(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21NO — CID 10611903

IUPAC(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC[C@@H](N)[C@H]2Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-20-15-8-9-16-14(12-15)7-10-18(19)17(16)11-13-5-3-2-4-6-13/h2-6,8-9,12,17-18H,7,10-11,19H2,1H3/t17-,18+/m0/s1
InChIKeyMZIXZXQYYBBRSL-ZWKOTPCHSA-N
MW267.37 g/mol
LogP3.30
Rot. Bonds3

About (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10611903) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10611903
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC[C@@H](N)[C@H]2Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-20-15-8-9-16-14(12-15)7-10-18(19)17(16)11-13-5-3-2-4-6-13/h2-6,8-9,12,17-18H,7,10-11,19H2,1H3/t17-,18+/m0/s1
InChIKeyMZIXZXQYYBBRSL-ZWKOTPCHSA-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

(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
[2-[1-(1,3-dioxolan-2-yl)-2-phenylethyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 57117563
1-[(3,4-dichlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467189
1-[1-[(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentyl]naphthalene-2-sulfonamide
CID 139980371
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
N-[(2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20637775
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
1-benzyl-7-(3-cyclopropylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 161388678
[2-[1-(1,3-dioxolan-2-yl)-4-phenylbutyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 57236398

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10611903) is (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC[C@@H](N)[C@H]2Cc1ccccc1.
What is the InChIKey of (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MZIXZXQYYBBRSL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-15-8-9-16-14(12-15)7-10-18(19)17(16)11-13-5-3-2-4-6-13/h2-6,8-9,12,17-18H,7,10-11,19H2,1H3/t17-,18+/m0/s1.
What are the key properties of (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-1-benzyl-6-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 (1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10611903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).