(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine

C20H29N — CID 1377984

IUPAC(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine
SMILESCC1(C)CCCC2=C1CC(C)(C)[C@H](Nc1ccccc1)C2
InChIInChI=1S/C20H29N/c1-19(2)12-8-9-15-13-18(20(3,4)14-17(15)19)21-16-10-6-5-7-11-16/h5-7,10-11,18,21H,8-9,12-14H2,1-4H3/t18-/m1/s1
InChIKeyXFDXUEOPQAVIDP-GOSISDBHSA-N
MW283.46 g/mol
LogP5.79
Rot. Bonds2

About (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine

(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine (PubChem CID 1377984) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine
PubChem CID1377984
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine
SMILESCC1(C)CCCC2=C1CC(C)(C)[C@H](Nc1ccccc1)C2
InChIInChI=1S/C20H29N/c1-19(2)12-8-9-15-13-18(20(3,4)14-17(15)19)21-16-10-6-5-7-11-16/h5-7,10-11,18,21H,8-9,12-14H2,1-4H3/t18-/m1/s1
InChIKeyXFDXUEOPQAVIDP-GOSISDBHSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine?
The IUPAC name of (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine (CID 1377984) is (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine?
The canonical SMILES for (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine is CC1(C)CCCC2=C1CC(C)(C)[C@H](Nc1ccccc1)C2.
What is the InChIKey of (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine?
The InChIKey is XFDXUEOPQAVIDP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N/c1-19(2)12-8-9-15-13-18(20(3,4)14-17(15)19)21-16-10-6-5-7-11-16/h5-7,10-11,18,21H,8-9,12-14H2,1-4H3/t18-/m1/s1.
What are the key properties of (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine?
(2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine has a molecular weight of 283.46 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,5,5-tetramethyl-N-phenyl-1,2,4,6,7,8-hexahydronaphthalen-2-amine is sourced from PubChem (CID 1377984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).