2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol

C14H24N2O2 — CID 115120393

IUPAC2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1N(C)CC(N)CO
InChIInChI=1S/C14H24N2O2/c1-10(2)11-5-6-14(18-4)13(7-11)16(3)8-12(15)9-17/h5-7,10,12,17H,8-9,15H2,1-4H3
InChIKeySSVAHUZBVVBESM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds6

About 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol

2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol (PubChem CID 115120393) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
PubChem CID115120393
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1N(C)CC(N)CO
InChIInChI=1S/C14H24N2O2/c1-10(2)11-5-6-14(18-4)13(7-11)16(3)8-12(15)9-17/h5-7,10,12,17H,8-9,15H2,1-4H3
InChIKeySSVAHUZBVVBESM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
CID 115168976
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol (CID 115120393) is 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol is COc1ccc(C(C)C)cc1N(C)CC(N)CO.
What is the InChIKey of 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol?
The InChIKey is SSVAHUZBVVBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)11-5-6-14(18-4)13(7-11)16(3)8-12(15)9-17/h5-7,10,12,17H,8-9,15H2,1-4H3.
What are the key properties of 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol?
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 115120393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).