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

C16H20BrNO — CID 55195327

IUPACN-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-3-12(2)18-8-9-19-16-7-5-13-10-15(17)6-4-14(13)11-16/h4-7,10-12,18H,3,8-9H2,1-2H3
InChIKeySUHZKVDBTFCVMJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.37
Rot. Bonds6

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

N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine (PubChem CID 55195327) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
PubChem CID55195327
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
SMILESCCC(C)NCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO/c1-3-12(2)18-8-9-19-16-7-5-13-10-15(17)6-4-14(13)11-16/h4-7,10-12,18H,3,8-9H2,1-2H3
InChIKeySUHZKVDBTFCVMJ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.37
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]propan-2-amine;hydrochloride
CID 54595906
N-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine?
The IUPAC name of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine (CID 55195327) is N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine.
What is the SMILES notation for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine?
The canonical SMILES for N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine is CCC(C)NCCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine?
The InChIKey is SUHZKVDBTFCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-12(2)18-8-9-19-16-7-5-13-10-15(17)6-4-14(13)11-16/h4-7,10-12,18H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine?
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.37, 6 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]butan-2-amine is sourced from PubChem (CID 55195327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).