1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H27N3O — CID 81463918

IUPAC1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCOc2ccc(CN)cc2)CC1N(C)C
InChIInChI=1S/C16H27N3O/c1-13-11-19(12-16(13)18(2)3)8-9-20-15-6-4-14(10-17)5-7-15/h4-7,13,16H,8-12,17H2,1-3H3
InChIKeyKPENLCMSEKKELP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.41
Rot. Bonds6

About 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463918) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81463918
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCOc2ccc(CN)cc2)CC1N(C)C
InChIInChI=1S/C16H27N3O/c1-13-11-19(12-16(13)18(2)3)8-9-20-15-6-4-14(10-17)5-7-15/h4-7,13,16H,8-12,17H2,1-3H3
InChIKeyKPENLCMSEKKELP-UHFFFAOYSA-N
XLogP1.41
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576633
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81463918) is 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(CCOc2ccc(CN)cc2)CC1N(C)C.
What is the InChIKey of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is KPENLCMSEKKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-11-19(12-16(13)18(2)3)8-9-20-15-6-4-14(10-17)5-7-15/h4-7,13,16H,8-12,17H2,1-3H3.
What are the key properties of 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).