4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol

C14H22N2O2 — CID 114947739

IUPAC4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
SMILESCc1c(N)cccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H22N2O2/c1-11-12(15)4-3-5-13(11)16(2)10-14(17)6-8-18-9-7-14/h3-5,17H,6-10,15H2,1-2H3
InChIKeyOYHWZTIZTQSSSP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.55
Rot. Bonds3

About 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol

4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol (PubChem CID 114947739) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
PubChem CID114947739
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
SMILESCc1c(N)cccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H22N2O2/c1-11-12(15)4-3-5-13(11)16(2)10-14(17)6-8-18-9-7-14/h3-5,17H,6-10,15H2,1-2H3
InChIKeyOYHWZTIZTQSSSP-UHFFFAOYSA-N
XLogP1.55
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
CID 114947773
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949762
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
4-[[2-amino-N-methyl-4-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947569
4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,6-dimethylbenzenesulfonamide
CID 114947189
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol?
The IUPAC name of 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol (CID 114947739) is 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol is Cc1c(N)cccc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol?
The InChIKey is OYHWZTIZTQSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-12(15)4-3-5-13(11)16(2)10-14(17)6-8-18-9-7-14/h3-5,17H,6-10,15H2,1-2H3.
What are the key properties of 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol?
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol has a molecular weight of 250.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol is sourced from PubChem (CID 114947739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).