4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol

C15H24N2O2 — CID 114948371

IUPAC4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(18)7-9-19-10-8-15)14(11-16)13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3
InChIKeyBZWBVCUSQKEUBD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.16
Rot. Bonds5

About 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol

4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol (PubChem CID 114948371) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
PubChem CID114948371
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)C(CN)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(18)7-9-19-10-8-15)14(11-16)13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3
InChIKeyBZWBVCUSQKEUBD-UHFFFAOYSA-N
XLogP1.16
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948515
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948505
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114948545
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]oxan-4-ol
CID 114948472
4-[[(3-bromo-2-phenylpropyl)-methylamino]methyl]oxan-4-ol
CID 114952447
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 114948710
4-[[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]methyl]oxan-4-ol
CID 114948583
4-[[[2-amino-1-(2-chlorophenyl)propyl]-methylamino]methyl]oxan-4-ol
CID 114948474
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
CID 114951541
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol (CID 114948371) is 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)C(CN)c1ccccc1.
What is the InChIKey of 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol?
The InChIKey is BZWBVCUSQKEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(12-15(18)7-9-19-10-8-15)14(11-16)13-5-3-2-4-6-13/h2-6,14,18H,7-12,16H2,1H3.
What are the key properties of 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol?
4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).