1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine

C14H22N2O — CID 116951010

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-10-8-11(4-5-13(10)17-3)14(15-2)12-6-7-16-9-12/h4-5,8,12,14-16H,6-7,9H2,1-3H3
InChIKeyMFJQXCAQLXXSDQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine

1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 116951010) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID116951010
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1CCNC1
InChIInChI=1S/C14H22N2O/c1-10-8-11(4-5-13(10)17-3)14(15-2)12-6-7-16-9-12/h4-5,8,12,14-16H,6-7,9H2,1-3H3
InChIKeyMFJQXCAQLXXSDQ-UHFFFAOYSA-N
XLogP1.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951034
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951094
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 116951010) is 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine is CNC(c1ccc(OC)c(C)c1)C1CCNC1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is MFJQXCAQLXXSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-11(4-5-13(10)17-3)14(15-2)12-6-7-16-9-12/h4-5,8,12,14-16H,6-7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116951010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).