2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol

C11H14BrNO — CID 117393343

IUPAC2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(CC2(N)CC2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-2-3-9(12)8(10(7)14)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyDHOSENZVNZWKKO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol

2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol (PubChem CID 117393343) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
PubChem CID117393343
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(CC2(N)CC2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-2-3-9(12)8(10(7)14)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyDHOSENZVNZWKKO-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
CID 117428354
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
3-bromo-2,6-dimethylphenol;ethane
CID 142823645

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol (CID 117393343) is 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol is Cc1ccc(Br)c(CC2(N)CC2)c1O.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol?
The InChIKey is DHOSENZVNZWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-2-3-9(12)8(10(7)14)6-11(13)4-5-11/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol?
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol is sourced from PubChem (CID 117393343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).