ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride

C16H24ClNO2 — CID 19386044

IUPACethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12;/h6-7,10,15H,2-5,8-9,11,17H2,1H3;1H
InChIKeyPFNNXGLZAJUQBU-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.81
Rot. Bonds5

About ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride

ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride (PubChem CID 19386044) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride
PubChem CID19386044
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Nameethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride
SMILESCCOC(=O)CCCc1ccc2c(c1)CC(N)CC2.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12;/h6-7,10,15H,2-5,8-9,11,17H2,1H3;1H
InChIKeyPFNNXGLZAJUQBU-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 48384
CID 48384
CID 25017086
CID 25017086
CID 45357110
CID 45357110
CID 47002446
CID 47002446
CID 56777259
CID 56777259
CID 66663107
CID 66663107
CID 6927613
CID 6927613
CID 9291934
CID 9291934
CID 25017087
CID 25017087
CID 593623
CID 593623
CID 11345551
CID 11345551
CID 54593054
CID 54593054

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride (CID 19386044) is ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride is CCOC(=O)CCCc1ccc2c(c1)CC(N)CC2.Cl.
What is the InChIKey of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride?
The InChIKey is PFNNXGLZAJUQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-2-19-16(18)5-3-4-12-6-7-13-8-9-15(17)11-14(13)10-12;/h6-7,10,15H,2-5,8-9,11,17H2,1H3;1H.
What are the key properties of ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride?
ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)butanoate;hydrochloride is sourced from PubChem (CID 19386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).