4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol

C17H26N2O2 — CID 62390236

IUPAC4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
SMILESCN(CC1(CNC2CC2)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O2/c1-19(15-4-6-16(20)7-5-15)13-17(8-10-21-11-9-17)12-18-14-2-3-14/h4-7,14,18,20H,2-3,8-13H2,1H3
InChIKeyLEAVZSAQUNQZOH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds6

About 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol

4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol (PubChem CID 62390236) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol.

Molecular Properties

Compound Name4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
PubChem CID62390236
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol
SMILESCN(CC1(CNC2CC2)CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C17H26N2O2/c1-19(15-4-6-16(20)7-5-15)13-17(8-10-21-11-9-17)12-18-14-2-3-14/h4-7,14,18,20H,2-3,8-13H2,1H3
InChIKeyLEAVZSAQUNQZOH-UHFFFAOYSA-N
XLogP2.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol with MolForge

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Related Compounds

N-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]-N,4-dimethylaniline
CID 63739621
4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
CID 62261909
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline
CID 62259574
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392859
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391146
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62392028
N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391480
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392227
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 63955478
2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62392902

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol?
The IUPAC name of 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol (CID 62390236) is 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol.
What is the SMILES notation for 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol?
The canonical SMILES for 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol is CN(CC1(CNC2CC2)CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol?
The InChIKey is LEAVZSAQUNQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(15-4-6-16(20)7-5-15)13-17(8-10-21-11-9-17)12-18-14-2-3-14/h4-7,14,18,20H,2-3,8-13H2,1H3.
What are the key properties of 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol?
4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol has a molecular weight of 290.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-methylamino]phenol is sourced from PubChem (CID 62390236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).