6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

C26H30N2 — CID 18361509

IUPAC6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)CC1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C26H30N2/c1-28(2)19-21-10-13-25-17-26(15-14-24(25)16-21)27-18-20-8-11-23(12-9-20)22-6-4-3-5-7-22/h3-9,11-12,14-15,17,21,27H,10,13,16,18-19H2,1-2H3
InChIKeyOYEJDXFRODAUIU-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.63
Rot. Bonds6

About 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine

6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 18361509) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID18361509
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(C)CC1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1
InChIInChI=1S/C26H30N2/c1-28(2)19-21-10-13-25-17-26(15-14-24(25)16-21)27-18-20-8-11-23(12-9-20)22-6-4-3-5-7-22/h3-9,11-12,14-15,17,21,27H,10,13,16,18-19H2,1-2H3
InChIKeyOYEJDXFRODAUIU-UHFFFAOYSA-N
XLogP5.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 18361509) is 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is CN(C)CC1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1.
What is the InChIKey of 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is OYEJDXFRODAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-28(2)19-21-10-13-25-17-26(15-14-24(25)16-21)27-18-20-8-11-23(12-9-20)22-6-4-3-5-7-22/h3-9,11-12,14-15,17,21,27H,10,13,16,18-19H2,1-2H3.
What are the key properties of 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine?
6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 370.54 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18361509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).