4-butyl-N-(3-methoxy-3-methylbutyl)aniline

C16H27NO — CID 103033140

IUPAC4-butyl-N-(3-methoxy-3-methylbutyl)aniline
SMILESCCCCc1ccc(NCCC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-7-14-8-10-15(11-9-14)17-13-12-16(2,3)18-4/h8-11,17H,5-7,12-13H2,1-4H3
InChIKeyAXMDDJBMIPDULS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.26
Rot. Bonds8

About 4-butyl-N-(3-methoxy-3-methylbutyl)aniline

4-butyl-N-(3-methoxy-3-methylbutyl)aniline (PubChem CID 103033140) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-butyl-N-(3-methoxy-3-methylbutyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(3-methoxy-3-methylbutyl)aniline
PubChem CID103033140
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-butyl-N-(3-methoxy-3-methylbutyl)aniline
SMILESCCCCc1ccc(NCCC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-7-14-8-10-15(11-9-14)17-13-12-16(2,3)18-4/h8-11,17H,5-7,12-13H2,1-4H3
InChIKeyAXMDDJBMIPDULS-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-4-pentylaniline
CID 63421581
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436
5-(4-butylanilino)pentan-1-ol
CID 62228069
methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
CID 104643925
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
2-(4-butylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507571
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-methoxy-3-methylbutyl)aniline?
The IUPAC name of 4-butyl-N-(3-methoxy-3-methylbutyl)aniline (CID 103033140) is 4-butyl-N-(3-methoxy-3-methylbutyl)aniline.
What is the SMILES notation for 4-butyl-N-(3-methoxy-3-methylbutyl)aniline?
The canonical SMILES for 4-butyl-N-(3-methoxy-3-methylbutyl)aniline is CCCCc1ccc(NCCC(C)(C)OC)cc1.
What is the InChIKey of 4-butyl-N-(3-methoxy-3-methylbutyl)aniline?
The InChIKey is AXMDDJBMIPDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-14-8-10-15(11-9-14)17-13-12-16(2,3)18-4/h8-11,17H,5-7,12-13H2,1-4H3.
What are the key properties of 4-butyl-N-(3-methoxy-3-methylbutyl)aniline?
4-butyl-N-(3-methoxy-3-methylbutyl)aniline has a molecular weight of 249.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-methoxy-3-methylbutyl)aniline is sourced from PubChem (CID 103033140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).