N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

C16H26N2O — CID 115208323

IUPACN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCCc1cc(CN(C)CC2CCCN2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-10-13(7-8-16(14)19-3)11-18(2)12-15-6-5-9-17-15/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyIWILAQCDMBSSAB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine

N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208323) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID115208323
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCCc1cc(CN(C)CC2CCCN2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-10-13(7-8-16(14)19-3)11-18(2)12-15-6-5-9-17-15/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyIWILAQCDMBSSAB-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 106602528
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
CID 112518591
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
6-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115208343

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 115208323) is N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is CCc1cc(CN(C)CC2CCCN2)ccc1OC.
What is the InChIKey of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is IWILAQCDMBSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-10-13(7-8-16(14)19-3)11-18(2)12-15-6-5-9-17-15/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine?
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).