2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol

C16H28N2O2 — CID 43751533

IUPAC2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC(CC(C)C)CN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-12(2)8-14(11-18(3)4)17-10-13-9-15(20-5)6-7-16(13)19/h6-7,9,12,14,17,19H,8,10-11H2,1-5H3
InChIKeyWGIKYNYUSFNNHY-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds8

About 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol

2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol (PubChem CID 43751533) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
PubChem CID43751533
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC(CC(C)C)CN(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-12(2)8-14(11-18(3)4)17-10-13-9-15(20-5)6-7-16(13)19/h6-7,9,12,14,17,19H,8,10-11H2,1-5H3
InChIKeyWGIKYNYUSFNNHY-UHFFFAOYSA-N
XLogP2.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol with MolForge

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Related Compounds

2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
CID 62118733
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
2-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]-4-methoxyphenol
CID 114210362
2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61036792
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
CID 63047104
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol (CID 43751533) is 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNC(CC(C)C)CN(C)C)c1.
What is the InChIKey of 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol?
The InChIKey is WGIKYNYUSFNNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)8-14(11-18(3)4)17-10-13-9-15(20-5)6-7-16(13)19/h6-7,9,12,14,17,19H,8,10-11H2,1-5H3.
What are the key properties of 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol?
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 43751533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).