1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

C16H26N2O — CID 120842813

IUPAC1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCc1cc(OC)ccc1CN1CCCC1CNC
InChIInChI=1S/C16H26N2O/c1-4-13-10-16(19-3)8-7-14(13)12-18-9-5-6-15(18)11-17-2/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyNLKUTEPZQFYDJF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 120842813) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID120842813
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCCc1cc(OC)ccc1CN1CCCC1CNC
InChIInChI=1S/C16H26N2O/c1-4-13-10-16(19-3)8-7-14(13)12-18-9-5-6-15(18)11-17-2/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyNLKUTEPZQFYDJF-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

1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928465
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 102877016
2-[2-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115463132
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 102877018
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 120842813) is 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is CCc1cc(OC)ccc1CN1CCCC1CNC.
What is the InChIKey of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is NLKUTEPZQFYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-10-16(19-3)8-7-14(13)12-18-9-5-6-15(18)11-17-2/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine 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 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 120842813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).