4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine

C18H27NO — CID 59174612

IUPAC4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1
InChIInChI=1S/C18H27NO/c1-14(2)15-4-3-5-16(12-15)20-13-17-6-9-18(19,10-7-17)11-8-17/h3-5,12,14H,6-11,13,19H2,1-2H3
InChIKeyGQCBKPBJUJVHLV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds4

About 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine

4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 59174612) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID59174612
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1
InChIInChI=1S/C18H27NO/c1-14(2)15-4-3-5-16(12-15)20-13-17-6-9-18(19,10-7-17)11-8-17/h3-5,12,14H,6-11,13,19H2,1-2H3
InChIKeyGQCBKPBJUJVHLV-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 143919319
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine (CID 59174612) is 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine is CC(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.
What is the InChIKey of 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is GQCBKPBJUJVHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)15-4-3-5-16(12-15)20-13-17-6-9-18(19,10-7-17)11-8-17/h3-5,12,14H,6-11,13,19H2,1-2H3.
What are the key properties of 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 59174612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).