N-butan-2-yl-4-methoxy-N-methylaniline

C12H19NO — CID 154139532

IUPACN-butan-2-yl-4-methoxy-N-methylaniline
SMILESCCC(C)N(C)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-5-10(2)13(3)11-6-8-12(14-4)9-7-11/h6-10H,5H2,1-4H3
InChIKeyZTVDLOFONVUTRU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.93
Rot. Bonds4

About N-butan-2-yl-4-methoxy-N-methylaniline

N-butan-2-yl-4-methoxy-N-methylaniline (PubChem CID 154139532) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-butan-2-yl-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-butan-2-yl-4-methoxy-N-methylaniline
PubChem CID154139532
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-butan-2-yl-4-methoxy-N-methylaniline
SMILESCCC(C)N(C)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO/c1-5-10(2)13(3)11-6-8-12(14-4)9-7-11/h6-10H,5H2,1-4H3
InChIKeyZTVDLOFONVUTRU-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82957710
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62001612
2-(4-methoxy-N-methylanilino)butanedioic acid
CID 115144312
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methoxy-N-methylaniline?
The IUPAC name of N-butan-2-yl-4-methoxy-N-methylaniline (CID 154139532) is N-butan-2-yl-4-methoxy-N-methylaniline.
What is the SMILES notation for N-butan-2-yl-4-methoxy-N-methylaniline?
The canonical SMILES for N-butan-2-yl-4-methoxy-N-methylaniline is CCC(C)N(C)c1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-4-methoxy-N-methylaniline?
The InChIKey is ZTVDLOFONVUTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-10(2)13(3)11-6-8-12(14-4)9-7-11/h6-10H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-4-methoxy-N-methylaniline?
N-butan-2-yl-4-methoxy-N-methylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methoxy-N-methylaniline is sourced from PubChem (CID 154139532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).