1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

C15H24N2O — CID 63142889

IUPAC1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1ccccc1CN(C)CC1(C)CCNC1
InChIInChI=1S/C15H24N2O/c1-15(8-9-16-11-15)12-17(2)10-13-6-4-5-7-14(13)18-3/h4-7,16H,8-12H2,1-3H3
InChIKeyHMTJZDPDAPWKRT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 63142889) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID63142889
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1ccccc1CN(C)CC1(C)CCNC1
InChIInChI=1S/C15H24N2O/c1-15(8-9-16-11-15)12-17(2)10-13-6-4-5-7-14(13)18-3/h4-7,16H,8-12H2,1-3H3
InChIKeyHMTJZDPDAPWKRT-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897682
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-nitrophenyl)methanamine;hydrochloride
CID 120898493
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
CID 120897781
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 120898763
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
CID 120897780

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 63142889) is 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is COc1ccccc1CN(C)CC1(C)CCNC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is HMTJZDPDAPWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(8-9-16-11-15)12-17(2)10-13-6-4-5-7-14(13)18-3/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63142889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).