3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline

C18H23NO — CID 46736318

IUPAC3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
SMILESCc1ccc(OC(C)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13-5-9-18(10-6-13)20-16(4)12-19-17-8-7-14(2)15(3)11-17/h5-11,16,19H,12H2,1-4H3
InChIKeyDVRWNMGORMMEKO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.49
Rot. Bonds5

About 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline

3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline (PubChem CID 46736318) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
PubChem CID46736318
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
SMILESCc1ccc(OC(C)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-13-5-9-18(10-6-13)20-16(4)12-19-17-8-7-14(2)15(3)11-17/h5-11,16,19H,12H2,1-4H3
InChIKeyDVRWNMGORMMEKO-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
N-(2-methoxypropyl)-4-methylaniline
CID 102551518
3-chloro-N-[2-(2,5-dimethylphenoxy)propyl]-4-fluoroaniline
CID 46736235
3-chloro-4-methoxy-N-(2-phenoxypropyl)aniline
CID 54798696
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline (CID 46736318) is 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline is Cc1ccc(OC(C)CNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline?
The InChIKey is DVRWNMGORMMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-5-9-18(10-6-13)20-16(4)12-19-17-8-7-14(2)15(3)11-17/h5-11,16,19H,12H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline?
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline is sourced from PubChem (CID 46736318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).