1-naphthalen-2-ylethanamine

C12H13N — CID 3857145

IUPAC1-naphthalen-2-ylethanamine
SMILESCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3
InChIKeyKHSYYLCXQKCYQX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.86
Rot. Bonds1

About 1-naphthalen-2-ylethanamine

1-naphthalen-2-ylethanamine (PubChem CID 3857145) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-naphthalen-2-ylethanamine
PubChem CID3857145
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name1-naphthalen-2-ylethanamine
SMILESCC(N)c1ccc2ccccc2c1
InChIInChI=1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3
InChIKeyKHSYYLCXQKCYQX-UHFFFAOYSA-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-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
CID 153400153
3-naphthalen-2-ylbutan-2-amine
CID 66436107
ethane;2-propan-2-ylnaphthalene
CID 142226111
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
CID 160513192
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
2-propan-2-ylpentacene
CID 153380535
1-naphthalen-2-ylethanethiol
CID 11672816
amino(naphthalen-2-yl)methanethiol
CID 116939563
amino(naphthalen-2-yl)methanol
CID 57110079
(1S)-1-(3-bromo-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533938
(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533664

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethanamine?
The IUPAC name of 1-naphthalen-2-ylethanamine (CID 3857145) is 1-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-naphthalen-2-ylethanamine?
The canonical SMILES for 1-naphthalen-2-ylethanamine is CC(N)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethanamine?
The InChIKey is KHSYYLCXQKCYQX-UHFFFAOYSA-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.
What are the key properties of 1-naphthalen-2-ylethanamine?
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 1-naphthalen-2-ylethanamine is sourced from PubChem (CID 3857145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).