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

C18H23N — CID 58933204

IUPACN-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
SMILESCc1ccccc1CC(C)C(C)Nc1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-7-8-10-17(14)13-15(2)16(3)19-18-11-5-4-6-12-18/h4-12,15-16,19H,13H2,1-3H3
InChIKeyBQIVMOCWZHAUIG-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.67
Rot. Bonds5

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

N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline (PubChem CID 58933204) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
PubChem CID58933204
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline
SMILESCc1ccccc1CC(C)C(C)Nc1ccccc1
InChIInChI=1S/C18H23N/c1-14-9-7-8-10-17(14)13-15(2)16(3)19-18-11-5-4-6-12-18/h4-12,15-16,19H,13H2,1-3H3
InChIKeyBQIVMOCWZHAUIG-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105449373
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
CID 115713787
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 123657846
CID 67672299
CID 67672299
1-anilinoethanol;hydrate
CID 173450384
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline?
The IUPAC name of N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline (CID 58933204) is N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline.
What is the SMILES notation for N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline?
The canonical SMILES for N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline is Cc1ccccc1CC(C)C(C)Nc1ccccc1.
What is the InChIKey of N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline?
The InChIKey is BQIVMOCWZHAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-7-8-10-17(14)13-15(2)16(3)19-18-11-5-4-6-12-18/h4-12,15-16,19H,13H2,1-3H3.
What are the key properties of N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline?
N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline has a molecular weight of 253.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylphenyl)butan-2-yl]aniline is sourced from PubChem (CID 58933204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).