3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol

C13H18BrNO — CID 115052156

IUPAC3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC(CN)(c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyTXZMWCVWWHGGMM-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.58
Rot. Bonds2

About 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol

3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol (PubChem CID 115052156) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
PubChem CID115052156
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC(CN)(c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyTXZMWCVWWHGGMM-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol (CID 115052156) is 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol is CC1(O)CCC(CN)(c2cccc(Br)c2)C1.
What is the InChIKey of 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol?
The InChIKey is TXZMWCVWWHGGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol?
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 115052156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).