2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol

C16H26N2O2 — CID 64790598

IUPAC2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol
SMILESCN(CC1CCOCC1)CC(N)(CO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-18(11-14-7-9-20-10-8-14)12-16(17,13-19)15-5-3-2-4-6-15/h2-6,14,19H,7-13,17H2,1H3
InChIKeyIGCBLYAJEGIMRP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol

2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol (PubChem CID 64790598) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol
PubChem CID64790598
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol
SMILESCN(CC1CCOCC1)CC(N)(CO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-18(11-14-7-9-20-10-8-14)12-16(17,13-19)15-5-3-2-4-6-15/h2-6,14,19H,7-13,17H2,1H3
InChIKeyIGCBLYAJEGIMRP-UHFFFAOYSA-N
XLogP1.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol
CID 64810139
2-amino-3-[2,2-dimethylpropyl(methyl)amino]-2-phenylpropan-1-ol
CID 64826974
3-[cyclobutylmethyl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64787052
2-amino-3-[2-methoxypropyl(methyl)amino]-2-phenylpropan-1-ol
CID 112754686
2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]boronic acid
CID 63713504
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
CID 63711302

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol (CID 64790598) is 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol is CN(CC1CCOCC1)CC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol?
The InChIKey is IGCBLYAJEGIMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(11-14-7-9-20-10-8-14)12-16(17,13-19)15-5-3-2-4-6-15/h2-6,14,19H,7-13,17H2,1H3.
What are the key properties of 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol?
2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(oxan-4-ylmethyl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 64790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).