N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

C14H19BrClN — CID 107416853

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClN/c1-10-3-2-4-11(10)8-17-9-12-7-13(16)5-6-14(12)15/h5-7,10-11,17H,2-4,8-9H2,1H3
InChIKeyPPRUTMDLNPAQEO-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.63
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107416853) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107416853
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClN/c1-10-3-2-4-11(10)8-17-9-12-7-13(16)5-6-14(12)15/h5-7,10-11,17H,2-4,8-9H2,1H3
InChIKeyPPRUTMDLNPAQEO-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107416853) is N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is CC1CCCC1CNCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is PPRUTMDLNPAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10-3-2-4-11(10)8-17-9-12-7-13(16)5-6-14(12)15/h5-7,10-11,17H,2-4,8-9H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 316.67 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107416853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).