3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol

C15H18BrNO — CID 81411268

IUPAC3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-15(2,10-18)9-17-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8,17-18H,9-10H2,1-2H3
InChIKeyXMIIPYQMOGKWRD-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.03
Rot. Bonds4

About 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol

3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 81411268) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID81411268
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H18BrNO/c1-15(2,10-18)9-17-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8,17-18H,9-10H2,1-2H3
InChIKeyXMIIPYQMOGKWRD-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
2,2-dimethyl-3-[(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135171
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
CID 114472442
3-(4-bromo-3-nitroanilino)-2,2-dimethylpropan-1-ol
CID 81410959
3-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 107571895
3-(3-amino-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115358124
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 58748362
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]naphthalen-2-amine
CID 116615684

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol (CID 81411268) is 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is XMIIPYQMOGKWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-15(2,10-18)9-17-14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 308.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).