4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline

C19H32N2O — CID 142937914

IUPAC4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline
SMILESC=C(CC)CNc1ccc(OC)cc1C(C)(C)CCCNC
InChIInChI=1S/C19H32N2O/c1-7-15(2)14-21-18-10-9-16(22-6)13-17(18)19(3,4)11-8-12-20-5/h9-10,13,20-21H,2,7-8,11-12,14H2,1,3-6H3
InChIKeyKGWNOQQZOVGDEL-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.35
Rot. Bonds10

About 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline

4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline (PubChem CID 142937914) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline.

Molecular Properties

Compound Name4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline
PubChem CID142937914
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline
SMILESC=C(CC)CNc1ccc(OC)cc1C(C)(C)CCCNC
InChIInChI=1S/C19H32N2O/c1-7-15(2)14-21-18-10-9-16(22-6)13-17(18)19(3,4)11-8-12-20-5/h9-10,13,20-21H,2,7-8,11-12,14H2,1,3-6H3
InChIKeyKGWNOQQZOVGDEL-UHFFFAOYSA-N
XLogP4.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-(2-methylidenebutyl)aniline
CID 66044244
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
2,4-difluoro-N-(2-methylidenebutyl)aniline
CID 66045919
2-[(2-tert-butyl-4-methoxyphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066796
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
3-(2,4-dimethoxyphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81023243
N-[6-(2-hydroxy-5-methoxyphenyl)-6-methylheptan-2-yl]acetamide
CID 71325382
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
CID 134239209
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline?
The IUPAC name of 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline (CID 142937914) is 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline.
What is the SMILES notation for 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline?
The canonical SMILES for 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline is C=C(CC)CNc1ccc(OC)cc1C(C)(C)CCCNC.
What is the InChIKey of 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline?
The InChIKey is KGWNOQQZOVGDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-7-15(2)14-21-18-10-9-16(22-6)13-17(18)19(3,4)11-8-12-20-5/h9-10,13,20-21H,2,7-8,11-12,14H2,1,3-6H3.
What are the key properties of 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline?
4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline has a molecular weight of 304.48 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylidenebutyl)-2-[2-methyl-5-(methylamino)pentan-2-yl]aniline is sourced from PubChem (CID 142937914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).