2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol

C17H29NO2 — CID 60969080

IUPAC2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)10-18(11-14(3)4)12-17(19)15-6-8-16(20-5)9-7-15/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyJFBVUPIBNKOFBX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.34
Rot. Bonds8

About 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol

2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 60969080) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID60969080
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-13(2)10-18(11-14(3)4)12-17(19)15-6-8-16(20-5)9-7-15/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyJFBVUPIBNKOFBX-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
1-(4-methoxyphenyl)-3,5-dimethylhexan-1-ol
CID 114200447
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol (CID 60969080) is 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CN(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is JFBVUPIBNKOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)10-18(11-14(3)4)12-17(19)15-6-8-16(20-5)9-7-15/h6-9,13-14,17,19H,10-12H2,1-5H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol?
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 279.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 60969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).