2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine

C14H22N2O — CID 54898422

IUPAC2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)CC1CC1
InChIInChI=1S/C14H22N2O/c1-16(11-12-5-6-12)7-8-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKeyXHTFNNWEQRSUGR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine

2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine (PubChem CID 54898422) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
PubChem CID54898422
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)CC1CC1
InChIInChI=1S/C14H22N2O/c1-16(11-12-5-6-12)7-8-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKeyXHTFNNWEQRSUGR-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
CID 79303253
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
3-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 54884258
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
CID 63706671
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine (CID 54898422) is 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine is CN(CCOc1cccc(CN)c1)CC1CC1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine?
The InChIKey is XHTFNNWEQRSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(11-12-5-6-12)7-8-17-14-4-2-3-13(9-14)10-15/h2-4,9,12H,5-8,10-11,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine is sourced from PubChem (CID 54898422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).