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

C19H25NO — CID 63450923

IUPAC2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
SMILESCOc1cc(C)ccc1NC(C)CCc1cccc(C)c1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)10-9-16(3)20-18-11-8-15(2)13-19(18)21-4/h5-8,11-13,16,20H,9-10H2,1-4H3
InChIKeyMBLQUOJOHHRBSI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.75
Rot. Bonds6

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

2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline (PubChem CID 63450923) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
PubChem CID63450923
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline
SMILESCOc1cc(C)ccc1NC(C)CCc1cccc(C)c1
InChIInChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)10-9-16(3)20-18-11-8-15(2)13-19(18)21-4/h5-8,11-13,16,20H,9-10H2,1-4H3
InChIKeyMBLQUOJOHHRBSI-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-trifluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63419545
2-iodo-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63421833
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-fluoro-2-iodo-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 79769079
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
CID 63451142
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
4-bromo-2-[4-(3-methylphenyl)butan-2-ylamino]benzonitrile
CID 107797503

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The IUPAC name of 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline (CID 63450923) is 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline is COc1cc(C)ccc1NC(C)CCc1cccc(C)c1.
What is the InChIKey of 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline?
The InChIKey is MBLQUOJOHHRBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-6-5-7-17(12-14)10-9-16(3)20-18-11-8-15(2)13-19(18)21-4/h5-8,11-13,16,20H,9-10H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline?
2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-[4-(3-methylphenyl)butan-2-yl]aniline is sourced from PubChem (CID 63450923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).