N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride

C15H19BrClNO — CID 54595906

IUPACN-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCCOc1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C15H18BrNO.ClH/c1-11(2)17-7-8-18-15-6-4-12-9-14(16)5-3-13(12)10-15;/h3-6,9-11,17H,7-8H2,1-2H3;1H
InChIKeyKSYJWMXIMCLCJB-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride

N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride (PubChem CID 54595906) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
PubChem CID54595906
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCCOc1ccc2cc(Br)ccc2c1.Cl
InChIInChI=1S/C15H18BrNO.ClH/c1-11(2)17-7-8-18-15-6-4-12-9-14(16)5-3-13(12)10-15;/h3-6,9-11,17H,7-8H2,1-2H3;1H
InChIKeyKSYJWMXIMCLCJB-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.40
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

N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
2-(6-bromonaphthalen-2-yl)oxy-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 75497373

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride (CID 54595906) is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride is CC(C)NCCOc1ccc2cc(Br)ccc2c1.Cl.
What is the InChIKey of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride?
The InChIKey is KSYJWMXIMCLCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO.ClH/c1-11(2)17-7-8-18-15-6-4-12-9-14(16)5-3-13(12)10-15;/h3-6,9-11,17H,7-8H2,1-2H3;1H.
What are the key properties of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride?
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride has a molecular weight of 344.68 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 54595906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).