4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline

C19H25N — CID 43681046

IUPAC4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H25N/c1-5-15(3)17-8-10-19(11-9-17)20-13-18-7-6-14(2)12-16(18)4/h6-12,15,20H,5,13H2,1-4H3
InChIKeyPTUSCLNNFQQDQV-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.43
Rot. Bonds5

About 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline

4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline (PubChem CID 43681046) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
PubChem CID43681046
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H25N/c1-5-15(3)17-8-10-19(11-9-17)20-13-18-7-6-14(2)12-16(18)4/h6-12,15,20H,5,13H2,1-4H3
InChIKeyPTUSCLNNFQQDQV-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-4-propylaniline
CID 28533928
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
CID 63476952
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
4-butan-2-yl-N-[(3,5-difluorophenyl)methyl]aniline
CID 106528332
1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene
CID 21363352
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
4-butan-2-yl-N-[(4-chlorophenyl)methyl]aniline
CID 43230048
4-butan-2-yl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487318
4-butan-2-yl-N-[(3,4-difluorophenyl)methyl]aniline
CID 43230078

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline (CID 43681046) is 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline is CCC(C)c1ccc(NCc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline?
The InChIKey is PTUSCLNNFQQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-15(3)17-8-10-19(11-9-17)20-13-18-7-6-14(2)12-16(18)4/h6-12,15,20H,5,13H2,1-4H3.
What are the key properties of 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline?
4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(2,4-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 43681046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).