N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine

C16H26N2O — CID 115210378

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCCOc1ccc(CN(C)CCC2CCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-6-14(7-9-16)13-18(2)12-10-15-5-4-11-17-15/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyFOICDPKTCHDUKB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine (PubChem CID 115210378) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
PubChem CID115210378
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCCOc1ccc(CN(C)CCC2CCCN2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-16-8-6-14(7-9-16)13-18(2)12-10-15-5-4-11-17-15/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyFOICDPKTCHDUKB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine (CID 115210378) is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine is CCOc1ccc(CN(C)CCC2CCCN2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is FOICDPKTCHDUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-8-6-14(7-9-16)13-18(2)12-10-15-5-4-11-17-15/h6-9,15,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 115210378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).