(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C22H29N — CID 10018111

IUPAC(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C22H29N/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m1/s1
InChIKeyOFFYQPYZZMYNDH-HXUWFJFHSA-N
MW307.48 g/mol
LogP5.33
Rot. Bonds6

About (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10018111) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10018111
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@@H]1CCc2cccc(-c3ccccc3)c2C1
InChIInChI=1S/C22H29N/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m1/s1
InChIKeyOFFYQPYZZMYNDH-HXUWFJFHSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10018111) is (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@@H]1CCc2cccc(-c3ccccc3)c2C1.
What is the InChIKey of (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OFFYQPYZZMYNDH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-14-13-19-11-8-12-21(22(19)17-20)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 307.48 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-phenyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10018111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).