2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline

C24H35NO — CID 70881827

IUPAC2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
SMILESCOc1cc(C(C)C)ccc1N(CCC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H35NO/c1-17(2)14-15-25(22-11-8-20(9-12-22)18(3)4)23-13-10-21(19(5)6)16-24(23)26-7/h8-13,16-19H,14-15H2,1-7H3
InChIKeySEQITNXCGGHDHM-UHFFFAOYSA-N
MW353.55 g/mol
LogP7.13
Rot. Bonds8

About 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline

2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline (PubChem CID 70881827) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
PubChem CID70881827
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
SMILESCOc1cc(C(C)C)ccc1N(CCC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H35NO/c1-17(2)14-15-25(22-11-8-20(9-12-22)18(3)4)23-13-10-21(19(5)6)16-24(23)26-7/h8-13,16-19H,14-15H2,1-7H3
InChIKeySEQITNXCGGHDHM-UHFFFAOYSA-N
XLogP7.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
bis(2-methoxy-4-propan-2-ylphenyl)phosphane
CID 171780256
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)-2-methylpropanenitrile
CID 115129156
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline (CID 70881827) is 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline is COc1cc(C(C)C)ccc1N(CCC(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is SEQITNXCGGHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-17(2)14-15-25(22-11-8-20(9-12-22)18(3)4)23-13-10-21(19(5)6)16-24(23)26-7/h8-13,16-19H,14-15H2,1-7H3.
What are the key properties of 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline?
2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 353.55 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylbutyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 70881827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).