(1S)-1-naphthalen-2-ylethanamine

C12H13N — CID 1201503

IUPAC(1S)-1-naphthalen-2-ylethanamine
SMILESC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyKHSYYLCXQKCYQX-VIFPVBQESA-N
MW171.24 g/mol
LogP2.86
Rot. Bonds1

About (1S)-1-naphthalen-2-ylethanamine

(1S)-1-naphthalen-2-ylethanamine (PubChem CID 1201503) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (1S)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-naphthalen-2-ylethanamine
PubChem CID1201503
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(1S)-1-naphthalen-2-ylethanamine
SMILESC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyKHSYYLCXQKCYQX-VIFPVBQESA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Naphthyl)ethylamine
CID 98089
1,2,3,4-Tetrahydro-1-naphthylamine
CID 18066
2,5-Dimethylbenzeneethanamine
CID 211415
1-(4-Methylphenyl)ethylamine
CID 577386
1-Aminotetralin, (S)-
CID 7058074
1-Naphthalenemethanamine
CID 8355
1,2-Diphenylethylamine
CID 26482
N-Methyl-N-naphthylmethylamine
CID 84474
4-Phenylbenzylamine
CID 344989
1-Biphenyl-2-ylmethanamine
CID 263366
1-Aminotetralin, (R)-
CID 7058072
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-2-ylethanamine?
The IUPAC name of (1S)-1-naphthalen-2-ylethanamine (CID 1201503) is (1S)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for (1S)-1-naphthalen-2-ylethanamine?
The canonical SMILES for (1S)-1-naphthalen-2-ylethanamine is C[C@H](N)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-1-naphthalen-2-ylethanamine?
The InChIKey is KHSYYLCXQKCYQX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-naphthalen-2-ylethanamine?
(1S)-1-naphthalen-2-ylethanamine has a molecular weight of 171.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 1201503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).