6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride

C17H23BrClNO — CID 10133895

IUPAC6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
SMILESCNCCCCCCOc1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C17H22BrNO.ClH/c1-19-10-4-2-3-5-11-20-17-9-7-14-12-16(18)8-6-15(14)13-17;/h6-9,12-13,19H,2-5,10-11H2,1H3;1H
InChIKeyWWZGQLNRXCEHDN-UHFFFAOYSA-N
MW372.73 g/mol
LogP5.18
Rot. Bonds8

About 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride

6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride (PubChem CID 10133895) has the molecular formula C17H23BrClNO and a molecular weight of 372.73 g/mol. Its IUPAC name is 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
PubChem CID10133895
Molecular FormulaC17H23BrClNO
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
SMILESCNCCCCCCOc1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C17H22BrNO.ClH/c1-19-10-4-2-3-5-11-20-17-9-7-14-12-16(18)8-6-15(14)13-17;/h6-9,12-13,19H,2-5,10-11H2,1H3;1H
InChIKeyWWZGQLNRXCEHDN-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
CID 10229043
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
6-[4-[2-(4-bromophenyl)ethyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741074
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride?
The IUPAC name of 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride (CID 10133895) is 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride.
What is the SMILES notation for 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride?
The canonical SMILES for 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride is CNCCCCCCOc1ccc2cc(Br)ccc2c1.Cl.
What is the InChIKey of 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride?
The InChIKey is WWZGQLNRXCEHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO.ClH/c1-19-10-4-2-3-5-11-20-17-9-7-14-12-16(18)8-6-15(14)13-17;/h6-9,12-13,19H,2-5,10-11H2,1H3;1H.
What are the key properties of 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride?
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride has a molecular weight of 372.73 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride is sourced from PubChem (CID 10133895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).