2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol

C14H24N2O2 — CID 112754686

IUPAC2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
SMILESCOC(C)CN(C)CC(N)(CO)c1ccccc1
InChIInChI=1S/C14H24N2O2/c1-12(18-3)9-16(2)10-14(15,11-17)13-7-5-4-6-8-13/h4-8,12,17H,9-11,15H2,1-3H3
InChIKeyUJHAYBSYGBYHIQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.80
Rot. Bonds7

About 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol

2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol (PubChem CID 112754686) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
PubChem CID112754686
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
SMILESCOC(C)CN(C)CC(N)(CO)c1ccccc1
InChIInChI=1S/C14H24N2O2/c1-12(18-3)9-16(2)10-14(15,11-17)13-7-5-4-6-8-13/h4-8,12,17H,9-11,15H2,1-3H3
InChIKeyUJHAYBSYGBYHIQ-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol
CID 64790598
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-amino-3-octan-2-yloxy-2-phenylpropan-1-ol
CID 64809795
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol (CID 112754686) is 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol is COC(C)CN(C)CC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol?
The InChIKey is UJHAYBSYGBYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(18-3)9-16(2)10-14(15,11-17)13-7-5-4-6-8-13/h4-8,12,17H,9-11,15H2,1-3H3.
What are the key properties of 2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol?
2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 0.80, 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-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 112754686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).