(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one

C13H16ClNO — CID 178126498

IUPAC(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
SMILESC[C@@H](N)C(=O)C1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H16ClNO/c1-8(15)13(16)10-5-6-11-9(7-10)3-2-4-12(11)14/h2-4,8,10H,5-7,15H2,1H3/t8-,10?/m1/s1
InChIKeyBORQJSZGVBVHNQ-HNHGDDPOSA-N
MW237.73 g/mol
LogP2.36
Rot. Bonds2

About (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one

(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one (PubChem CID 178126498) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
PubChem CID178126498
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one
SMILESC[C@@H](N)C(=O)C1CCc2c(Cl)cccc2C1
InChIInChI=1S/C13H16ClNO/c1-8(15)13(16)10-5-6-11-9(7-10)3-2-4-12(11)14/h2-4,8,10H,5-7,15H2,1H3/t8-,10?/m1/s1
InChIKeyBORQJSZGVBVHNQ-HNHGDDPOSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one (CID 178126498) is (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one is C[C@@H](N)C(=O)C1CCc2c(Cl)cccc2C1.
What is the InChIKey of (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one?
The InChIKey is BORQJSZGVBVHNQ-HNHGDDPOSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-8(15)13(16)10-5-6-11-9(7-10)3-2-4-12(11)14/h2-4,8,10H,5-7,15H2,1H3/t8-,10?/m1/s1.
What are the key properties of (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one?
(2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one has a molecular weight of 237.73 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 178126498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).