[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol

C16H27NO2 — CID 55038447

IUPAC[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol
SMILESCCC(CC)N(CCOC)c1ccc(CO)c(C)c1
InChIInChI=1S/C16H27NO2/c1-5-15(6-2)17(9-10-19-4)16-8-7-14(12-18)13(3)11-16/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyCYLNSUCUSYLBQP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds8

About [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol

[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol (PubChem CID 55038447) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol
PubChem CID55038447
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol
SMILESCCC(CC)N(CCOC)c1ccc(CO)c(C)c1
InChIInChI=1S/C16H27NO2/c1-5-15(6-2)17(9-10-19-4)16-8-7-14(12-18)13(3)11-16/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyCYLNSUCUSYLBQP-UHFFFAOYSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 114060497
2-[3-methyl-N-pentan-3-yl-4-[(propan-2-ylamino)methyl]anilino]ethanol
CID 62130474
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
[2-methyl-4-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]methanol
CID 112661769
2-bromo-4-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 107276165
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
[6-[2-methoxyethyl(pentan-3-yl)amino]-3-pyridinyl]methanol
CID 55002823
[6-[2-methoxyethyl(pentan-3-yl)amino]-2-pyridinyl]methanol
CID 62255181
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 114478718
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315

Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol?
The IUPAC name of [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol (CID 55038447) is [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol?
The canonical SMILES for [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol is CCC(CC)N(CCOC)c1ccc(CO)c(C)c1.
What is the InChIKey of [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol?
The InChIKey is CYLNSUCUSYLBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-15(6-2)17(9-10-19-4)16-8-7-14(12-18)13(3)11-16/h7-8,11,15,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol?
[4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylphenyl]methanol is sourced from PubChem (CID 55038447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).