2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine

C15H18BrNO — CID 55077307

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H18BrNO/c1-3-17-10-11(2)18-14-9-8-12-6-4-5-7-13(12)15(14)16/h4-9,11,17H,3,10H2,1-2H3
InChIKeySCHDMPDSEWOJAM-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.98
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine

2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine (PubChem CID 55077307) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
PubChem CID55077307
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H18BrNO/c1-3-17-10-11(2)18-14-9-8-12-6-4-5-7-13(12)15(14)16/h4-9,11,17H,3,10H2,1-2H3
InChIKeySCHDMPDSEWOJAM-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyethyl)propan-1-amine
CID 62598270
N-[2-(1-bromonaphthalen-2-yl)oxypropyl]pentan-3-amine
CID 63517699
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
2-(4-bromo-2-fluorophenoxy)-N-ethylpropan-1-amine
CID 62486029
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
N-ethyl-3-methyl-2-naphthalen-1-yloxybutan-1-amine
CID 62459225
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
4-(1-bromonaphthalen-2-yl)oxy-5,5-dimethylhexan-3-amine
CID 63460125
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
2-(1-bromonaphthalen-2-yl)oxy-3,3-dimethylbutanoic acid
CID 67007983
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63532585

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine (CID 55077307) is 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine is CCNCC(C)Oc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine?
The InChIKey is SCHDMPDSEWOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-17-10-11(2)18-14-9-8-12-6-4-5-7-13(12)15(14)16/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine?
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine is sourced from PubChem (CID 55077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).