4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol

C17H29NO2 — CID 82981648

IUPAC4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N(CC(C)C)CC(C)C)ccc1O
InChIInChI=1S/C17H29NO2/c1-12(2)10-18(11-13(3)4)14(5)15-7-8-16(19)17(9-15)20-6/h7-9,12-14,19H,10-11H2,1-6H3
InChIKeyBBGAPIXISNVXNX-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.08
Rot. Bonds7

About 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol

4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol (PubChem CID 82981648) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
PubChem CID82981648
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N(CC(C)C)CC(C)C)ccc1O
InChIInChI=1S/C17H29NO2/c1-12(2)10-18(11-13(3)4)14(5)15-7-8-16(19)17(9-15)20-6/h7-9,12-14,19H,10-11H2,1-6H3
InChIKeyBBGAPIXISNVXNX-UHFFFAOYSA-N
XLogP4.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
4-hexan-2-yl-2-methoxyphenol
CID 10285881

Frequently Asked Questions

What is the IUPAC name of 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol (CID 82981648) is 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol is COc1cc(C(C)N(CC(C)C)CC(C)C)ccc1O.
What is the InChIKey of 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol?
The InChIKey is BBGAPIXISNVXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)10-18(11-13(3)4)14(5)15-7-8-16(19)17(9-15)20-6/h7-9,12-14,19H,10-11H2,1-6H3.
What are the key properties of 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol?
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol has a molecular weight of 279.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 82981648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).