ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine

C18H29NO — CID 143919319

IUPACethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC.Cc1ccc(OCC23CCC(N)(CC2)CC3)cc1
InChIInChI=1S/C16H23NO.C2H6/c1-13-2-4-14(5-3-13)18-12-15-6-9-16(17,10-7-15)11-8-15;1-2/h2-5H,6-12,17H2,1H3;1-2H3
InChIKeyBPWGHQHKLULPLD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds3

About ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine

ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 143919319) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Nameethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID143919319
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Nameethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCC.Cc1ccc(OCC23CCC(N)(CC2)CC3)cc1
InChIInChI=1S/C16H23NO.C2H6/c1-13-2-4-14(5-3-13)18-12-15-6-9-16(17,10-7-15)11-8-15;1-2/h2-5H,6-12,17H2,1H3;1-2H3
InChIKeyBPWGHQHKLULPLD-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-methylbenzene
CID 65001597
4-[(3-propan-2-ylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine
CID 59174612
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
CID 171758962
1-[2-(4-methylphenoxy)ethyl]adamantane
CID 123385316
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
N,N-diethyl-2-[(4-methylphenoxy)methyl]oxiran-2-amine
CID 174187467
1-ethoxy-4-methylbenzene;yttrium
CID 59970582

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine (CID 143919319) is ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine is CC.Cc1ccc(OCC23CCC(N)(CC2)CC3)cc1.
What is the InChIKey of ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is BPWGHQHKLULPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C2H6/c1-13-2-4-14(5-3-13)18-12-15-6-9-16(17,10-7-15)11-8-15;1-2/h2-5H,6-12,17H2,1H3;1-2H3.
What are the key properties of ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine?
ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-methylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 143919319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).