N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine

C15H24N2O — CID 55083146

IUPACN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H24N2O/c1-3-16-10-14-8-9-17(12-14)11-13-4-6-15(18-2)7-5-13/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyHFDCPUFMMNYHQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.13
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine

N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 55083146) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID55083146
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H24N2O/c1-3-16-10-14-8-9-17(12-14)11-13-4-6-15(18-2)7-5-13/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyHFDCPUFMMNYHQQ-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980706
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
propan-2-yl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980669
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 55083146) is N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is HFDCPUFMMNYHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-10-14-8-9-17(12-14)11-13-4-6-15(18-2)7-5-13/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55083146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).