3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

C14H18BrNO — CID 117477347

IUPAC3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC1(Cc2cc3c(c(Br)c2O)CCCC3)CC1
InChIInChI=1S/C14H18BrNO/c15-12-11-4-2-1-3-9(11)7-10(13(12)17)8-14(16)5-6-14/h7,17H,1-6,8,16H2
InChIKeyNNYKNNWGQYHKKS-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.07
Rot. Bonds2

About 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117477347) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117477347
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC1(Cc2cc3c(c(Br)c2O)CCCC3)CC1
InChIInChI=1S/C14H18BrNO/c15-12-11-4-2-1-3-9(11)7-10(13(12)17)8-14(16)5-6-14/h7,17H,1-6,8,16H2
InChIKeyNNYKNNWGQYHKKS-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(hydroxyamino)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117460807
6-[1-(aminomethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117453234
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
6-[1-(1-aminoethyl)cyclopropyl]-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 117477283
4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 117419069
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712949
1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
CID 117495973
3-amino-1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 117456967
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605
1-(4-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanone
CID 117497175

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117477347) is 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is NC1(Cc2cc3c(c(Br)c2O)CCCC3)CC1.
What is the InChIKey of 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NNYKNNWGQYHKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-11-4-2-1-3-9(11)7-10(13(12)17)8-14(16)5-6-14/h7,17H,1-6,8,16H2.
What are the key properties of 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 296.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117477347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).