[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

C14H20BrNO — CID 116912694

IUPAC[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1cccc(Br)c1)C1(CO)CCC1
InChIInChI=1S/C14H20BrNO/c1-16(2)13(14(10-17)7-4-8-14)11-5-3-6-12(15)9-11/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3
InChIKeyPTHRFPBNCZLFIT-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.21
Rot. Bonds4

About [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (PubChem CID 116912694) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
PubChem CID116912694
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1cccc(Br)c1)C1(CO)CCC1
InChIInChI=1S/C14H20BrNO/c1-16(2)13(14(10-17)7-4-8-14)11-5-3-6-12(15)9-11/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3
InChIKeyPTHRFPBNCZLFIT-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
[1-[(3-bromophenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958336
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
3-[(3-bromophenyl)-(dimethylamino)methyl]benzoic acid
CID 116908426
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
(3-bromophenyl)-ethoxymethanol
CID 142187361
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
CID 116912305
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
3-amino-1-(3-bromophenyl)-1-(dimethylamino)propan-2-ol
CID 116911764
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
1-(3-bromophenyl)butan-1-ol
CID 18417756

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (CID 116912694) is [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is CN(C)C(c1cccc(Br)c1)C1(CO)CCC1.
What is the InChIKey of [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The InChIKey is PTHRFPBNCZLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16(2)13(14(10-17)7-4-8-14)11-5-3-6-12(15)9-11/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3.
What are the key properties of [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116912694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).