3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine

C16H27N3O — CID 81468498

IUPAC3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
SMILESCOc1ccccc1CN(C)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C16H27N3O/c1-13-9-16(11-17,12-18(13)2)19(3)10-14-7-5-6-8-15(14)20-4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyVGNGXUBODGTJDM-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.55
Rot. Bonds5

About 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine

3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine (PubChem CID 81468498) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
PubChem CID81468498
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine
SMILESCOc1ccccc1CN(C)C1(CN)CC(C)N(C)C1
InChIInChI=1S/C16H27N3O/c1-13-9-16(11-17,12-18(13)2)19(3)10-14-7-5-6-8-15(14)20-4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyVGNGXUBODGTJDM-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562687
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 81468493
1-(aminomethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 104791379
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752250
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115249526
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-(aminomethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylcycloheptan-1-amine
CID 62007927
3-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467482
2-N-[(2-methoxyphenyl)methyl]-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64752913
3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
CID 130528368

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine (CID 81468498) is 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine is COc1ccccc1CN(C)C1(CN)CC(C)N(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine?
The InChIKey is VGNGXUBODGTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-9-16(11-17,12-18(13)2)19(3)10-14-7-5-6-8-15(14)20-4/h5-8,13H,9-12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,1,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81468498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).