2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine

C17H29N3O — CID 79303253

IUPAC2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
SMILESCCN1CCCC1CN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C17H29N3O/c1-3-20-9-5-7-16(20)14-19(2)10-11-21-17-8-4-6-15(12-17)13-18/h4,6,8,12,16H,3,5,7,9-11,13-14,18H2,1-2H3
InChIKeyXHVPOJHROPZMMV-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.94
Rot. Bonds8

About 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine

2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine (PubChem CID 79303253) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
PubChem CID79303253
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
SMILESCCN1CCCC1CN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C17H29N3O/c1-3-20-9-5-7-16(20)14-19(2)10-11-21-17-8-4-6-15(12-17)13-18/h4,6,8,12,16H,3,5,7,9-11,13-14,18H2,1-2H3
InChIKeyXHVPOJHROPZMMV-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
1-[1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885724
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine (CID 79303253) is 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine is CCN1CCCC1CN(C)CCOc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine?
The InChIKey is XHVPOJHROPZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20-9-5-7-16(20)14-19(2)10-11-21-17-8-4-6-15(12-17)13-18/h4,6,8,12,16H,3,5,7,9-11,13-14,18H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 79303253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).