3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol

C14H24N2O2 — CID 104711070

IUPAC3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
SMILESCOc1ccccc1CC(C)N(C)C(CN)CO
InChIInChI=1S/C14H24N2O2/c1-11(16(2)13(9-15)10-17)8-12-6-4-5-7-14(12)18-3/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyQKGJTXLVYBWVPG-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds7

About 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol

3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol (PubChem CID 104711070) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
PubChem CID104711070
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
SMILESCOc1ccccc1CC(C)N(C)C(CN)CO
InChIInChI=1S/C14H24N2O2/c1-11(16(2)13(9-15)10-17)8-12-6-4-5-7-14(12)18-3/h4-7,11,13,17H,8-10,15H2,1-3H3
InChIKeyQKGJTXLVYBWVPG-UHFFFAOYSA-N
XLogP0.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307
4-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoic acid
CID 65487917
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
5-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pentan-1-ol
CID 65486301
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 65483111

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol?
The IUPAC name of 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol (CID 104711070) is 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol?
The canonical SMILES for 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol is COc1ccccc1CC(C)N(C)C(CN)CO.
What is the InChIKey of 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol?
The InChIKey is QKGJTXLVYBWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(16(2)13(9-15)10-17)8-12-6-4-5-7-14(12)18-3/h4-7,11,13,17H,8-10,15H2,1-3H3.
What are the key properties of 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol?
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol is sourced from PubChem (CID 104711070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).