N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline

C18H22N2O — CID 115913163

IUPACN-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-20(16-5-3-4-6-17(16)21-2)13-18(11-12-18)14-7-9-15(19)10-8-14/h3-10H,11-13,19H2,1-2H3
InChIKeyWPUSQVRDEIRTIM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline

N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline (PubChem CID 115913163) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline
PubChem CID115913163
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-20(16-5-3-4-6-17(16)21-2)13-18(11-12-18)14-7-9-15(19)10-8-14/h3-10H,11-13,19H2,1-2H3
InChIKeyWPUSQVRDEIRTIM-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
CID 112661104
2-methoxy-N-methyl-N-propylaniline
CID 23198488
2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099
5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856120
4-[1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]aniline
CID 112558104
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline (CID 115913163) is N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)CC1(c2ccc(N)cc2)CC1.
What is the InChIKey of N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is WPUSQVRDEIRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(16-5-3-4-6-17(16)21-2)13-18(11-12-18)14-7-9-15(19)10-8-14/h3-10H,11-13,19H2,1-2H3.
What are the key properties of N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline?
N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline has a molecular weight of 282.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 115913163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).