2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol

C16H28N2O — CID 83920924

IUPAC2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
SMILESCCc1ccc(CC)c(C(O)C(N)CCN(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-12-7-8-13(6-2)14(11-12)16(19)15(17)9-10-18(3)4/h7-8,11,15-16,19H,5-6,9-10,17H2,1-4H3
InChIKeyQXQVYMGZCXDGBO-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.12
Rot. Bonds7

About 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol

2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol (PubChem CID 83920924) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
PubChem CID83920924
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
SMILESCCc1ccc(CC)c(C(O)C(N)CCN(C)C)c1
InChIInChI=1S/C16H28N2O/c1-5-12-7-8-13(6-2)14(11-12)16(19)15(17)9-10-18(3)4/h7-8,11,15-16,19H,5-6,9-10,17H2,1-4H3
InChIKeyQXQVYMGZCXDGBO-UHFFFAOYSA-N
XLogP2.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937610
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol?
The IUPAC name of 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol (CID 83920924) is 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol.
What is the SMILES notation for 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol?
The canonical SMILES for 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol is CCc1ccc(CC)c(C(O)C(N)CCN(C)C)c1.
What is the InChIKey of 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol?
The InChIKey is QXQVYMGZCXDGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-12-7-8-13(6-2)14(11-12)16(19)15(17)9-10-18(3)4/h7-8,11,15-16,19H,5-6,9-10,17H2,1-4H3.
What are the key properties of 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol?
2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol is sourced from PubChem (CID 83920924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).