2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

C18H22N2O — CID 43757794

IUPAC2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCOc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyLFSKCTKOEUCJPZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.91
Rot. Bonds5

About 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline

2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (PubChem CID 43757794) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
PubChem CID43757794
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
SMILESCOc1ccccc1NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3
InChIKeyLFSKCTKOEUCJPZ-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512
2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378414
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43755835
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
2-methyl-3-methylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]aniline
CID 167753969
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
CID 104819734

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline (CID 43757794) is 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is COc1ccccc1NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
The InChIKey is LFSKCTKOEUCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-14H2,1H3.
What are the key properties of 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline?
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43757794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).