2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

C14H20BrNO — CID 55094675

IUPAC2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Br)cc1)CC1CCCC1O
InChIInChI=1S/C14H20BrNO/c1-16(10-12-3-2-4-14(12)17)9-11-5-7-13(15)8-6-11/h5-8,12,14,17H,2-4,9-10H2,1H3
InChIKeyUIHLUTNTTQVRHU-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.04
Rot. Bonds4

About 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol

2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 55094675) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID55094675
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ccc(Br)cc1)CC1CCCC1O
InChIInChI=1S/C14H20BrNO/c1-16(10-12-3-2-4-14(12)17)9-11-5-7-13(15)8-6-11/h5-8,12,14,17H,2-4,9-10H2,1H3
InChIKeyUIHLUTNTTQVRHU-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 55094675) is 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1ccc(Br)cc1)CC1CCCC1O.
What is the InChIKey of 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is UIHLUTNTTQVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-16(10-12-3-2-4-14(12)17)9-11-5-7-13(15)8-6-11/h5-8,12,14,17H,2-4,9-10H2,1H3.
What are the key properties of 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 55094675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).