3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine

C16H24N2O — CID 82037329

IUPAC3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
SMILESCN(C)C1C2CCC(C2)C1Oc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O/c1-18(2)15-12-5-6-13(9-12)16(15)19-14-7-3-11(10-17)4-8-14/h3-4,7-8,12-13,15-16H,5-6,9-10,17H2,1-2H3
InChIKeyBFPQMBBMWMLDAW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds4

About 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine

3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 82037329) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID82037329
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
SMILESCN(C)C1C2CCC(C2)C1Oc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O/c1-18(2)15-12-5-6-13(9-12)16(15)19-14-7-3-11(10-17)4-8-14/h3-4,7-8,12-13,15-16H,5-6,9-10,17H2,1-2H3
InChIKeyBFPQMBBMWMLDAW-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine
CID 117050624
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
[4-[[(1S,2S)-2-methylcyclopropyl]methoxy]phenyl]methanamine
CID 97052425
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
CID 117050635
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463918
[4-[4-(trideuteriomethoxy)phenyl]phenyl]methanamine
CID 171381536
CID 89457594
CID 89457594

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine (CID 82037329) is 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine is CN(C)C1C2CCC(C2)C1Oc1ccc(CN)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is BFPQMBBMWMLDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(2)15-12-5-6-13(9-12)16(15)19-14-7-3-11(10-17)4-8-14/h3-4,7-8,12-13,15-16H,5-6,9-10,17H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine?
3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 82037329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).