2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol

C16H24BrNO — CID 55094820

IUPAC2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
SMILESCN(Cc1ccccc1Br)CC1CCCCCC1O
InChIInChI=1S/C16H24BrNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14,16,19H,2-4,8,10-12H2,1H3
InChIKeyHQUPMFQBLJKSHR-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.82
Rot. Bonds4

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

2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol (PubChem CID 55094820) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
PubChem CID55094820
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
SMILESCN(Cc1ccccc1Br)CC1CCCCCC1O
InChIInChI=1S/C16H24BrNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14,16,19H,2-4,8,10-12H2,1H3
InChIKeyHQUPMFQBLJKSHR-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 125136229
cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol (CID 55094820) is 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol is CN(Cc1ccccc1Br)CC1CCCCCC1O.
What is the InChIKey of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol?
The InChIKey is HQUPMFQBLJKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14,16,19H,2-4,8,10-12H2,1H3.
What are the key properties of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol?
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55094820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).