N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride

C14H21BrClN — CID 17294485

IUPACN-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
SMILESBrc1ccc(CNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C14H20BrN.ClH/c15-13-9-7-12(8-10-13)11-16-14-5-3-1-2-4-6-14;/h7-10,14,16H,1-6,11H2;1H
InChIKeyCFEOUKIDKHVMRX-UHFFFAOYSA-N
MW318.69 g/mol
LogP4.68
Rot. Bonds3

About N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride

N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride (PubChem CID 17294485) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
PubChem CID17294485
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC NameN-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
SMILESBrc1ccc(CNC2CCCCCC2)cc1.Cl
InChIInChI=1S/C14H20BrN.ClH/c15-13-9-7-12(8-10-13)11-16-14-5-3-1-2-4-6-14;/h7-10,14,16H,1-6,11H2;1H
InChIKeyCFEOUKIDKHVMRX-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 17289669
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
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N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride (CID 17294485) is N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride is Brc1ccc(CNC2CCCCCC2)cc1.Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride?
The InChIKey is CFEOUKIDKHVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN.ClH/c15-13-9-7-12(8-10-13)11-16-14-5-3-1-2-4-6-14;/h7-10,14,16H,1-6,11H2;1H.
What are the key properties of N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride?
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride has a molecular weight of 318.69 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17294485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).