(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride

C15H24ClNO — CID 46864780

IUPAC(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride
SMILESCCCCc1cccc2c1CCC(N)(CO)C2.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-5-12-6-4-7-13-10-15(16,11-17)9-8-14(12)13;/h4,6-7,17H,2-3,5,8-11,16H2,1H3;1H
InChIKeyWGFAVPUVNKEMIH-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.63
Rot. Bonds4

About (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride

(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride (PubChem CID 46864780) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride
PubChem CID46864780
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride
SMILESCCCCc1cccc2c1CCC(N)(CO)C2.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-5-12-6-4-7-13-10-15(16,11-17)9-8-14(12)13;/h4,6-7,17H,2-3,5,8-11,16H2,1H3;1H
InChIKeyWGFAVPUVNKEMIH-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride?
The IUPAC name of (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride (CID 46864780) is (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride.
What is the SMILES notation for (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride?
The canonical SMILES for (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride is CCCCc1cccc2c1CCC(N)(CO)C2.Cl.
What is the InChIKey of (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride?
The InChIKey is WGFAVPUVNKEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-3-5-12-6-4-7-13-10-15(16,11-17)9-8-14(12)13;/h4,6-7,17H,2-3,5,8-11,16H2,1H3;1H.
What are the key properties of (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride?
(2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-butyl-3,4-dihydro-1H-naphthalen-2-yl)methanol;hydrochloride is sourced from PubChem (CID 46864780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).