1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol

C14H24N2O2 — CID 79384884

IUPAC1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCOc1cccc(C(CN)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,17)10-16(3)13(9-15)11-6-5-7-12(8-11)18-4/h5-8,13,17H,9-10,15H2,1-4H3
InChIKeyGOQSBEFONTVQDW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.40
Rot. Bonds6

About 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384884) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384884
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCOc1cccc(C(CN)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,17)10-16(3)13(9-15)11-6-5-7-12(8-11)18-4/h5-8,13,17H,9-10,15H2,1-4H3
InChIKeyGOQSBEFONTVQDW-UHFFFAOYSA-N
XLogP1.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylbutan-2-ol
CID 18322686
N-ethyl-N-methyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104604
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol (CID 79384884) is 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol is COc1cccc(C(CN)N(C)CC(C)(C)O)c1.
What is the InChIKey of 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is GOQSBEFONTVQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,17)10-16(3)13(9-15)11-6-5-7-12(8-11)18-4/h5-8,13,17H,9-10,15H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).