3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

C18H23NO — CID 39369011

IUPAC3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCc1cc(C)cc(NCc2ccccc2OC(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-18-8-6-5-7-16(18)12-19-17-10-14(3)9-15(4)11-17/h5-11,13,19H,12H2,1-4H3
InChIKeyVTJILWBYHHLFFO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.70
Rot. Bonds5

About 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 39369011) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
PubChem CID39369011
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCc1cc(C)cc(NCc2ccccc2OC(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-18-8-6-5-7-16(18)12-19-17-10-14(3)9-15(4)11-17/h5-11,13,19H,12H2,1-4H3
InChIKeyVTJILWBYHHLFFO-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773543
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43768953
3-bromo-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 104776000
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
2-[2-[(3,5-dimethylanilino)methyl]phenoxy]acetonitrile
CID 43763950
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
3-nitro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43785388
1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
CID 62903365
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (CID 39369011) is 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is Cc1cc(C)cc(NCc2ccccc2OC(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is VTJILWBYHHLFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)20-18-8-6-5-7-16(18)12-19-17-10-14(3)9-15(4)11-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 39369011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).