1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine

C16H24BrNO — CID 126732576

IUPAC1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)(C)OCNC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H24BrNO/c1-15(2,3)19-12-18-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyQMFOHTHWWZHSLJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.58
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine

1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 126732576) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine
PubChem CID126732576
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)(C)OCNC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H24BrNO/c1-15(2,3)19-12-18-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyQMFOHTHWWZHSLJ-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine (CID 126732576) is 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine is CC(C)(C)OCNC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is QMFOHTHWWZHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-15(2,3)19-12-18-16(10-4-5-11-16)13-6-8-14(17)9-7-13/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine?
1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 126732576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).