3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline

C14H24N2O — CID 107208237

IUPAC3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
SMILESCCC(CC)N(C)Cc1ccc(N)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-13(6-2)16(3)10-11-7-8-12(15)9-14(11)17-4/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyRLBQULBSBHOVCM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.90
Rot. Bonds6

About 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline

3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline (PubChem CID 107208237) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
PubChem CID107208237
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
SMILESCCC(CC)N(C)Cc1ccc(N)cc1OC
InChIInChI=1S/C14H24N2O/c1-5-13(6-2)16(3)10-11-7-8-12(15)9-14(11)17-4/h7-9,13H,5-6,10,15H2,1-4H3
InChIKeyRLBQULBSBHOVCM-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-3-methoxyaniline
CID 107208402
3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
CID 107208320
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
4-[[(2S)-butan-2-yl]oxymethyl]-3-methoxyaniline
CID 124681084
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208324
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208321
4-[(1S)-1-aminopropyl]-3-methoxyaniline
CID 130731352

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline (CID 107208237) is 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline is CCC(CC)N(C)Cc1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline?
The InChIKey is RLBQULBSBHOVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-13(6-2)16(3)10-11-7-8-12(15)9-14(11)17-4/h7-9,13H,5-6,10,15H2,1-4H3.
What are the key properties of 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline?
3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline is sourced from PubChem (CID 107208237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).