2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine

C16H18BrNO — CID 62570775

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
SMILESBrc1ccc2cc(OCCNCC3CC3)ccc2c1
InChIInChI=1S/C16H18BrNO/c17-15-5-3-14-10-16(6-4-13(14)9-15)19-8-7-18-11-12-1-2-12/h3-6,9-10,12,18H,1-2,7-8,11H2
InChIKeySQBDMCDMWGBNAP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.98
Rot. Bonds6

About 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine

2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine (PubChem CID 62570775) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
PubChem CID62570775
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
SMILESBrc1ccc2cc(OCCNCC3CC3)ccc2c1
InChIInChI=1S/C16H18BrNO/c17-15-5-3-14-10-16(6-4-13(14)9-15)19-8-7-18-11-12-1-2-12/h3-6,9-10,12,18H,1-2,7-8,11H2
InChIKeySQBDMCDMWGBNAP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.98
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-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
3-bromo-6-(cyclopropylmethoxy)phenanthrene
CID 86614878

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine (CID 62570775) is 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine is Brc1ccc2cc(OCCNCC3CC3)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine?
The InChIKey is SQBDMCDMWGBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-15-5-3-14-10-16(6-4-13(14)9-15)19-8-7-18-11-12-1-2-12/h3-6,9-10,12,18H,1-2,7-8,11H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine?
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 62570775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).