[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine

C17H27NO — CID 95467774

IUPAC[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
SMILESCC(C)COc1ccc(CC2(CN)CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-19-16-7-5-15(6-8-16)11-17(13-18)9-3-4-10-17/h5-8,14H,3-4,9-13,18H2,1-2H3
InChIKeyXVGKCKAMEDQWDV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.78
Rot. Bonds6

About [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine

[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine (PubChem CID 95467774) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
PubChem CID95467774
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
SMILESCC(C)COc1ccc(CC2(CN)CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-19-16-7-5-15(6-8-16)11-17(13-18)9-3-4-10-17/h5-8,14H,3-4,9-13,18H2,1-2H3
InChIKeyXVGKCKAMEDQWDV-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine (CID 95467774) is [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine is CC(C)COc1ccc(CC2(CN)CCCC2)cc1.
What is the InChIKey of [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine?
The InChIKey is XVGKCKAMEDQWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)12-19-16-7-5-15(6-8-16)11-17(13-18)9-3-4-10-17/h5-8,14H,3-4,9-13,18H2,1-2H3.
What are the key properties of [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine?
[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine is sourced from PubChem (CID 95467774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).