2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol

C15H26N2O2 — CID 81134021

IUPAC2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)CCN(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-12(8-9-17(2)3)16-11-15(18)13-6-5-7-14(10-13)19-4/h5-7,10,12,15-16,18H,8-9,11H2,1-4H3
InChIKeyMFMNAWQPHCPUNU-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.66
Rot. Bonds8

About 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol

2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134021) has the molecular formula C15H26N2O2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID81134021
Molecular FormulaC15H26N2O2
Molecular Weight266.39 g/mol
Exact Mass266.20
IUPAC Name2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)CCN(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-12(8-9-17(2)3)16-11-15(18)13-6-5-7-14(10-13)19-4/h5-7,10,12,15-16,18H,8-9,11H2,1-4H3
InChIKeyMFMNAWQPHCPUNU-UHFFFAOYSA-N
XLogP1.66
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
3-hydrazinyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 105259246
1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
CID 78966951
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81133562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol (CID 81134021) is 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)CCN(C)C)c1.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is MFMNAWQPHCPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(8-9-17(2)3)16-11-15(18)13-6-5-7-14(10-13)19-4/h5-7,10,12,15-16,18H,8-9,11H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol?
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).