2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol

C18H32N2O2 — CID 83942311

IUPAC2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN(C)C)c1
InChIInChI=1S/C18H32N2O2/c1-12(2)11-22-18-14(4)9-13(3)10-15(18)17(21)16(19)7-8-20(5)6/h9-10,12,16-17,21H,7-8,11,19H2,1-6H3
InChIKeyAJRYWJHDQPSGDO-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.65
Rot. Bonds8

About 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol

2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol (PubChem CID 83942311) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
PubChem CID83942311
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
SMILESCc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN(C)C)c1
InChIInChI=1S/C18H32N2O2/c1-12(2)11-22-18-14(4)9-13(3)10-15(18)17(21)16(19)7-8-20(5)6/h9-10,12,16-17,21H,7-8,11,19H2,1-6H3
InChIKeyAJRYWJHDQPSGDO-UHFFFAOYSA-N
XLogP2.65
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
2-amino-1-(2-ethoxy-3,5-dimethylphenyl)-4-(methylamino)butan-1-ol
CID 83942048
2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937610
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
methane;1,2,3,5-tetramethylbenzene;N,N,3-trimethylbutan-1-amine
CID 142255849
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol (CID 83942311) is 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol is Cc1cc(C)c(OCC(C)C)c(C(O)C(N)CCN(C)C)c1.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
The InChIKey is AJRYWJHDQPSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-12(2)11-22-18-14(4)9-13(3)10-15(18)17(21)16(19)7-8-20(5)6/h9-10,12,16-17,21H,7-8,11,19H2,1-6H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol?
2-amino-4-(dimethylamino)-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol has a molecular weight of 308.47 g/mol, XLogP of 2.65, 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-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol is sourced from PubChem (CID 83942311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).