(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C29H29NO — CID 67089292

IUPAC(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccccc1CN[C@@H]1CCc2ccccc2[C@@H]1Cc1ccc2ccccc2c1
InChIInChI=1S/C29H29NO/c1-31-29-13-7-5-11-25(29)20-30-28-17-16-23-9-4-6-12-26(23)27(28)19-21-14-15-22-8-2-3-10-24(22)18-21/h2-15,18,27-28,30H,16-17,19-20H2,1H3/t27-,28+/m0/s1
InChIKeyWTUISXZFIFANPW-WUFINQPMSA-N
MW407.56 g/mol
LogP6.28
Rot. Bonds6

About (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 67089292) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID67089292
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC Name(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccccc1CN[C@@H]1CCc2ccccc2[C@@H]1Cc1ccc2ccccc2c1
InChIInChI=1S/C29H29NO/c1-31-29-13-7-5-11-25(29)20-30-28-17-16-23-9-4-6-12-26(23)27(28)19-21-14-15-22-8-2-3-10-24(22)18-21/h2-15,18,27-28,30H,16-17,19-20H2,1H3/t27-,28+/m0/s1
InChIKeyWTUISXZFIFANPW-WUFINQPMSA-N
XLogP6.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 67089292) is (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccccc1CN[C@@H]1CCc2ccccc2[C@@H]1Cc1ccc2ccccc2c1.
What is the InChIKey of (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WTUISXZFIFANPW-WUFINQPMSA-N. The full InChI is InChI=1S/C29H29NO/c1-31-29-13-7-5-11-25(29)20-30-28-17-16-23-9-4-6-12-26(23)27(28)19-21-14-15-22-8-2-3-10-24(22)18-21/h2-15,18,27-28,30H,16-17,19-20H2,1H3/t27-,28+/m0/s1.
What are the key properties of (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 407.56 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 67089292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).