2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol

C15H26N2O2 — CID 115120711

IUPAC2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C(C)C)ccc1CN(C)CC(N)CO
InChIInChI=1S/C15H26N2O2/c1-11(2)12-5-6-13(15(7-12)19-4)8-17(3)9-14(16)10-18/h5-7,11,14,18H,8-10,16H2,1-4H3
InChIKeyWDRRLTSCNVHQKN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds7

About 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol

2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115120711) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
PubChem CID115120711
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C(C)C)ccc1CN(C)CC(N)CO
InChIInChI=1S/C15H26N2O2/c1-11(2)12-5-6-13(15(7-12)19-4)8-17(3)9-14(16)10-18/h5-7,11,14,18H,8-10,16H2,1-4H3
InChIKeyWDRRLTSCNVHQKN-UHFFFAOYSA-N
XLogP1.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)-N-methylmethanamine
CID 115258703
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol (CID 115120711) is 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol is COc1cc(C(C)C)ccc1CN(C)CC(N)CO.
What is the InChIKey of 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is WDRRLTSCNVHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)12-5-6-13(15(7-12)19-4)8-17(3)9-14(16)10-18/h5-7,11,14,18H,8-10,16H2,1-4H3.
What are the key properties of 2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol?
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.57, 7 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-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).