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

C16H26N2O — CID 63631386

IUPAC2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)CC1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(13-14-5-2-3-6-14)9-10-19-16-8-4-7-15(11-16)12-17/h4,7-8,11,14H,2-3,5-6,9-10,12-13,17H2,1H3
InChIKeyOBVLMBZGWKXINE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds7

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

2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine (PubChem CID 63631386) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
PubChem CID63631386
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)CC1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(13-14-5-2-3-6-14)9-10-19-16-8-4-7-15(11-16)12-17/h4,7-8,11,14H,2-3,5-6,9-10,12-13,17H2,1H3
InChIKeyOBVLMBZGWKXINE-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
CID 79303253
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 63657559
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
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
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
3-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 54884258

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine (CID 63631386) is 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine is CN(CCOc1cccc(CN)c1)CC1CCCC1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine?
The InChIKey is OBVLMBZGWKXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(13-14-5-2-3-6-14)9-10-19-16-8-4-7-15(11-16)12-17/h4,7-8,11,14H,2-3,5-6,9-10,12-13,17H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 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-(cyclopentylmethyl)-N-methylethanamine is sourced from PubChem (CID 63631386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).