7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine

C17H25NO — CID 105018412

IUPAC7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1C2CCCCC21
InChIInChI=1S/C17H25NO/c1-11(2)19-15-10-6-5-9-14(15)17(18)16-12-7-3-4-8-13(12)16/h5-6,9-13,16-17H,3-4,7-8,18H2,1-2H3
InChIKeyKPPIRIQZEVJCLW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.91
Rot. Bonds4

About 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine

7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018412) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018412
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1C2CCCCC21
InChIInChI=1S/C17H25NO/c1-11(2)19-15-10-6-5-9-14(15)17(18)16-12-7-3-4-8-13(12)16/h5-6,9-13,16-17H,3-4,7-8,18H2,1-2H3
InChIKeyKPPIRIQZEVJCLW-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018368
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
CID 105052437
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine (CID 105018412) is 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccccc1C(N)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is KPPIRIQZEVJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11(2)19-15-10-6-5-9-14(15)17(18)16-12-7-3-4-8-13(12)16/h5-6,9-13,16-17H,3-4,7-8,18H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine?
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).