N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine

C21H30N2O2 — CID 141125875

IUPACN,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
SMILESCN(C)CC1(c2ccc(OCCCn3cccc3)cc2)CCOCC1
InChIInChI=1S/C21H30N2O2/c1-22(2)18-21(10-16-24-17-11-21)19-6-8-20(9-7-19)25-15-5-14-23-12-3-4-13-23/h3-4,6-9,12-13H,5,10-11,14-18H2,1-2H3
InChIKeyQMEUACVNBIUBIO-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.57
Rot. Bonds8

About N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine

N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine (PubChem CID 141125875) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
PubChem CID141125875
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
SMILESCN(C)CC1(c2ccc(OCCCn3cccc3)cc2)CCOCC1
InChIInChI=1S/C21H30N2O2/c1-22(2)18-21(10-16-24-17-11-21)19-6-8-20(9-7-19)25-15-5-14-23-12-3-4-13-23/h3-4,6-9,12-13H,5,10-11,14-18H2,1-2H3
InChIKeyQMEUACVNBIUBIO-UHFFFAOYSA-N
XLogP3.57
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
CID 59837509
1-[4-[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
CID 68578158
N,N-dimethyl-1-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine;N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 158206148
ethyl 4-[3-[4-[4-[(dimethylamino)methyl]oxan-4-yl]phenoxy]propyl]piperazine-1-carboxylate
CID 59837463
N,N,N'-trimethyl-N'-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethane-1,2-diamine
CID 68576692
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
CID 59837374
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
CID 23091669
(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
CID 173480711
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine (CID 141125875) is N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine is CN(C)CC1(c2ccc(OCCCn3cccc3)cc2)CCOCC1.
What is the InChIKey of N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The InChIKey is QMEUACVNBIUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-22(2)18-21(10-16-24-17-11-21)19-6-8-20(9-7-19)25-15-5-14-23-12-3-4-13-23/h3-4,6-9,12-13H,5,10-11,14-18H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine has a molecular weight of 342.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine is sourced from PubChem (CID 141125875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).