1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine

C14H22N2O — CID 82620503

IUPAC1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C2CCNC2)cc1CN(C)C
InChIInChI=1S/C14H22N2O/c1-16(2)10-13-8-11(4-5-14(13)17-3)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyCMHKIEXCQNDHPN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine

1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine (PubChem CID 82620503) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
PubChem CID82620503
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C2CCNC2)cc1CN(C)C
InChIInChI=1S/C14H22N2O/c1-16(2)10-13-8-11(4-5-14(13)17-3)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9-10H2,1-3H3
InChIKeyCMHKIEXCQNDHPN-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine (CID 82620503) is 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine is COc1ccc(C2CCNC2)cc1CN(C)C.
What is the InChIKey of 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine?
The InChIKey is CMHKIEXCQNDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)10-13-8-11(4-5-14(13)17-3)12-6-7-15-9-12/h4-5,8,12,15H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine?
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 82620503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).