N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine

C17H20BrNO2 — CID 63100210

IUPACN-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
SMILESBrc1ccc2cc(OCCNC3CCOCC3)ccc2c1
InChIInChI=1S/C17H20BrNO2/c18-15-3-1-14-12-17(4-2-13(14)11-15)21-10-7-19-16-5-8-20-9-6-16/h1-4,11-12,16,19H,5-10H2
InChIKeyBQIBJUAVMLMQGX-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine

N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine (PubChem CID 63100210) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
PubChem CID63100210
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
SMILESBrc1ccc2cc(OCCNC3CCOCC3)ccc2c1
InChIInChI=1S/C17H20BrNO2/c18-15-3-1-14-12-17(4-2-13(14)11-15)21-10-7-19-16-5-8-20-9-6-16/h1-4,11-12,16,19H,5-10H2
InChIKeyBQIBJUAVMLMQGX-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
N-(6-bromonaphthalen-2-yl)oxan-4-amine
CID 81260159
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
N-[2-(4-methoxyphenyl)sulfanylethyl]oxan-4-amine
CID 63100220

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine?
The IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine (CID 63100210) is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine?
The canonical SMILES for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine is Brc1ccc2cc(OCCNC3CCOCC3)ccc2c1.
What is the InChIKey of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine?
The InChIKey is BQIBJUAVMLMQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-15-3-1-14-12-17(4-2-13(14)11-15)21-10-7-19-16-5-8-20-9-6-16/h1-4,11-12,16,19H,5-10H2.
What are the key properties of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine?
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine is sourced from PubChem (CID 63100210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).