4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline

C19H25NO — CID 43780458

IUPAC4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-5-14(2)17-7-9-18(10-8-17)20-13-16-6-11-19(21-4)15(3)12-16/h6-12,14,20H,5,13H2,1-4H3
InChIKeySFADFVPOTYJLTD-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.13
Rot. Bonds6

About 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline

4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline (PubChem CID 43780458) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
PubChem CID43780458
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-5-14(2)17-7-9-18(10-8-17)20-13-16-6-11-19(21-4)15(3)12-16/h6-12,14,20H,5,13H2,1-4H3
InChIKeySFADFVPOTYJLTD-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
4-[(4-butan-2-ylanilino)methyl]-2-fluorophenol
CID 107685413
4-butan-2-yl-N-[(3,5-difluorophenyl)methyl]aniline
CID 106528332
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-butan-2-yl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43230072

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline (CID 43780458) is 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline is CCC(C)c1ccc(NCc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
The InChIKey is SFADFVPOTYJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-14(2)17-7-9-18(10-8-17)20-13-16-6-11-19(21-4)15(3)12-16/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline?
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 43780458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).