N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

C16H25BrClNO — CID 2958756

IUPACN-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Br)ccc1OC1CCCC1.Cl
InChIInChI=1S/C16H24BrNO.ClH/c1-16(2,3)18-11-12-10-13(17)8-9-15(12)19-14-6-4-5-7-14;/h8-10,14,18H,4-7,11H2,1-3H3;1H
InChIKeyZZDCCNDNOTZBBN-UHFFFAOYSA-N
MW362.74 g/mol
LogP5.08
Rot. Bonds4

About N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride

N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 2958756) has the molecular formula C16H25BrClNO and a molecular weight of 362.74 g/mol. Its IUPAC name is N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID2958756
Molecular FormulaC16H25BrClNO
Molecular Weight362.74 g/mol
Exact Mass361.08
IUPAC NameN-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Br)ccc1OC1CCCC1.Cl
InChIInChI=1S/C16H24BrNO.ClH/c1-16(2,3)18-11-12-10-13(17)8-9-15(12)19-14-6-4-5-7-14;/h8-10,14,18H,4-7,11H2,1-3H3;1H
InChIKeyZZDCCNDNOTZBBN-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.74
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride (CID 2958756) is N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1.Cl.
What is the InChIKey of N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is ZZDCCNDNOTZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO.ClH/c1-16(2,3)18-11-12-10-13(17)8-9-15(12)19-14-6-4-5-7-14;/h8-10,14,18H,4-7,11H2,1-3H3;1H.
What are the key properties of N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride?
N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 362.74 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-cyclopentyloxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 2958756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).