N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20ClN — CID 81353163

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13,18,20H,8,11-12H2,1H3/t13-,18?/m0/s1
InChIKeySOQVCLKJDKYNFT-FVRDMJKUSA-N
MW285.82 g/mol
LogP4.55
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81353163) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81353163
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13,18,20H,8,11-12H2,1H3/t13-,18?/m0/s1
InChIKeySOQVCLKJDKYNFT-FVRDMJKUSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81353163) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is C[C@H](NC1CCc2ccccc2C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SOQVCLKJDKYNFT-FVRDMJKUSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-7,9-10,13,18,20H,8,11-12H2,1H3/t13-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81353163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).