2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol

C17H30N2O2 — CID 83939948

IUPAC2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccc(C(O)C(N)CCN(C)C)c(C)c1C
InChIInChI=1S/C17H30N2O2/c1-6-11-21-16-8-7-14(12(2)13(16)3)17(20)15(18)9-10-19(4)5/h7-8,15,17,20H,6,9-11,18H2,1-5H3
InChIKeyXRGVHYFMKZDLAP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.40
Rot. Bonds8

About 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol

2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol (PubChem CID 83939948) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
PubChem CID83939948
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccc(C(O)C(N)CCN(C)C)c(C)c1C
InChIInChI=1S/C17H30N2O2/c1-6-11-21-16-8-7-14(12(2)13(16)3)17(20)15(18)9-10-19(4)5/h7-8,15,17,20H,6,9-11,18H2,1-5H3
InChIKeyXRGVHYFMKZDLAP-UHFFFAOYSA-N
XLogP2.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937610
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
4-amino-1-(2,3-dimethyl-4-propoxyphenyl)heptan-3-ol
CID 83940028
2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
1-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518914
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
5-(2,3-dimethyl-4-propoxyphenyl)heptane-2,3-diol
CID 83940032
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942311
2,4-diamino-1-(2-methyl-4-propoxyphenyl)butan-1-ol
CID 83936851

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol (CID 83939948) is 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol is CCCOc1ccc(C(O)C(N)CCN(C)C)c(C)c1C.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol?
The InChIKey is XRGVHYFMKZDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-11-21-16-8-7-14(12(2)13(16)3)17(20)15(18)9-10-19(4)5/h7-8,15,17,20H,6,9-11,18H2,1-5H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol?
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol is sourced from PubChem (CID 83939948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).