1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine

C24H28N2O — CID 142707470

IUPAC1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESCOc1cccc(CN2CCC(NCCc3cccc4ccccc34)C2)c1
InChIInChI=1S/C24H28N2O/c1-27-23-10-4-6-19(16-23)17-26-15-13-22(18-26)25-14-12-21-9-5-8-20-7-2-3-11-24(20)21/h2-11,16,22,25H,12-15,17-18H2,1H3
InChIKeyRILJCUKXPFOBHF-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.26
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine

1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine (PubChem CID 142707470) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
PubChem CID142707470
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESCOc1cccc(CN2CCC(NCCc3cccc4ccccc34)C2)c1
InChIInChI=1S/C24H28N2O/c1-27-23-10-4-6-19(16-23)17-26-15-13-22(18-26)25-14-12-21-9-5-8-20-7-2-3-11-24(20)21/h2-11,16,22,25H,12-15,17-18H2,1H3
InChIKeyRILJCUKXPFOBHF-UHFFFAOYSA-N
XLogP4.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707489
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-benzyl-N-[2-(2-iodo-5-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 68999578
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
CID 92708760
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine (CID 142707470) is 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine is COc1cccc(CN2CCC(NCCc3cccc4ccccc34)C2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is RILJCUKXPFOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-27-23-10-4-6-19(16-23)17-26-15-13-22(18-26)25-14-12-21-9-5-8-20-7-2-3-11-24(20)21/h2-11,16,22,25H,12-15,17-18H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 360.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 142707470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).