6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide

C19H20BrNO — CID 20541959

IUPAC6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide
SMILESBr.Oc1ccc2cc(CCNCc3ccccc3)ccc2c1
InChIInChI=1S/C19H19NO.BrH/c21-19-9-8-17-12-15(6-7-18(17)13-19)10-11-20-14-16-4-2-1-3-5-16;/h1-9,12-13,20-21H,10-11,14H2;1H
InChIKeyJQUZKEMSKOWHPX-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.46
Rot. Bonds5

About 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide

6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide (PubChem CID 20541959) has the molecular formula C19H20BrNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide.

Molecular Properties

Compound Name6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide
PubChem CID20541959
Molecular FormulaC19H20BrNO
Molecular Weight358.28 g/mol
Exact Mass357.07
IUPAC Name6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide
SMILESBr.Oc1ccc2cc(CCNCc3ccccc3)ccc2c1
InChIInChI=1S/C19H19NO.BrH/c21-19-9-8-17-12-15(6-7-18(17)13-19)10-11-20-14-16-4-2-1-3-5-16;/h1-9,12-13,20-21H,10-11,14H2;1H
InChIKeyJQUZKEMSKOWHPX-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-[2-(benzylamino)ethyl]naphthalen-2-yl] acetate;hydrobromide
CID 70551589
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide
CID 142191218
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
naphthalene-2,6-diol;phenylmethanamine
CID 11482538

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide?
The IUPAC name of 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide (CID 20541959) is 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide.
What is the SMILES notation for 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide?
The canonical SMILES for 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide is Br.Oc1ccc2cc(CCNCc3ccccc3)ccc2c1.
What is the InChIKey of 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide?
The InChIKey is JQUZKEMSKOWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.BrH/c21-19-9-8-17-12-15(6-7-18(17)13-19)10-11-20-14-16-4-2-1-3-5-16;/h1-9,12-13,20-21H,10-11,14H2;1H.
What are the key properties of 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide?
6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide has a molecular weight of 358.28 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide is sourced from PubChem (CID 20541959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).