2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

C19H25NO — CID 39384043

IUPAC2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1ccc(C)c(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-7-5-6-17(11-18)12-20-19-10-15(3)8-9-16(19)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyGTJYGELOXLKTJW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.95
Rot. Bonds6

About 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline

2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39384043) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39384043
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCc1ccc(C)c(NCc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-18-7-5-6-17(11-18)12-20-19-10-15(3)8-9-16(19)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyGTJYGELOXLKTJW-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54796992
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801331
N-[[3-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797369
2-bromo-5-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 82761435
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
2-(2-methylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54800051
2,4-dimethyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126586
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline (CID 39384043) is 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is Cc1ccc(C)c(NCc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is GTJYGELOXLKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)13-21-18-7-5-6-17(11-18)12-20-19-10-15(3)8-9-16(19)4/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline?
2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).