[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol

C12H16BrNO — CID 116958336

IUPAC[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cccc(Br)c1)C1(CO)CC1
InChIInChI=1S/C12H16BrNO/c1-14-11(12(8-15)5-6-12)9-3-2-4-10(13)7-9/h2-4,7,11,14-15H,5-6,8H2,1H3
InChIKeyUDKJTNOXGQUVTB-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.48
Rot. Bonds4

About [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol

[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol (PubChem CID 116958336) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
PubChem CID116958336
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
SMILESCNC(c1cccc(Br)c1)C1(CO)CC1
InChIInChI=1S/C12H16BrNO/c1-14-11(12(8-15)5-6-12)9-3-2-4-10(13)7-9/h2-4,7,11,14-15H,5-6,8H2,1H3
InChIKeyUDKJTNOXGQUVTB-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959052
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
[1-[(5-chlorothiophen-2-yl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958259
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
2-(3-bromophenyl)-N-methylpentan-3-amine
CID 79307668
1-[3-(3-bromophenyl)-3-(methylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358583
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol (CID 116958336) is [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol is CNC(c1cccc(Br)c1)C1(CO)CC1.
What is the InChIKey of [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol?
The InChIKey is UDKJTNOXGQUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14-11(12(8-15)5-6-12)9-3-2-4-10(13)7-9/h2-4,7,11,14-15H,5-6,8H2,1H3.
What are the key properties of [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol?
[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116958336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).