2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol

C17H29NO3 — CID 82956879

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN(CCOC)C(C)CC)c(O)c1
InChIInChI=1S/C17H29NO3/c1-5-10-21-16-8-7-15(17(19)12-16)13-18(9-11-20-4)14(3)6-2/h7-8,12,14,19H,5-6,9-11,13H2,1-4H3
InChIKeySZHFIIPPOYQODW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.43
Rot. Bonds10

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol (PubChem CID 82956879) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
PubChem CID82956879
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(CN(CCOC)C(C)CC)c(O)c1
InChIInChI=1S/C17H29NO3/c1-5-10-21-16-8-7-15(17(19)12-16)13-18(9-11-20-4)14(3)6-2/h7-8,12,14,19H,5-6,9-11,13H2,1-4H3
InChIKeySZHFIIPPOYQODW-UHFFFAOYSA-N
XLogP3.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866
2-[[methyl(2-methylsulfonylethyl)amino]methyl]-5-propoxyphenol
CID 82983133
2-ethyl-5-(4-methoxybutoxy)phenol
CID 135193551
2-[[cyclopentyl(methyl)amino]methyl]-5-propoxyphenol
CID 82974363
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzoic acid
CID 63075063
2-[(2-methylpropylamino)methyl]-5-propoxyphenol
CID 55147776
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-6-methylphenol
CID 112553492
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669914

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol (CID 82956879) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol is CCCOc1ccc(CN(CCOC)C(C)CC)c(O)c1.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol?
The InChIKey is SZHFIIPPOYQODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-10-21-16-8-7-15(17(19)12-16)13-18(9-11-20-4)14(3)6-2/h7-8,12,14,19H,5-6,9-11,13H2,1-4H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol has a molecular weight of 295.42 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-5-propoxyphenol is sourced from PubChem (CID 82956879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).