N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine

C19H30N2O2 — CID 90860071

IUPACN-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
SMILESCNC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C19H30N2O2/c1-20-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-21-11-2-3-12-21/h5-8,20H,2-4,9-16H2,1H3
InChIKeyAWTPFFLJKSPDBT-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.78
Rot. Bonds7

About N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine

N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine (PubChem CID 90860071) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
PubChem CID90860071
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
SMILESCNC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C19H30N2O2/c1-20-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-21-11-2-3-12-21/h5-8,20H,2-4,9-16H2,1H3
InChIKeyAWTPFFLJKSPDBT-UHFFFAOYSA-N
XLogP2.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 11515488
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
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]cyclohexanamine
CID 68576619
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]-1,4-thiazinane 1-oxide
CID 59837402
azane;(2,2-dimethylazetidin-1-yl)-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanone
CID 68579025

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine?
The IUPAC name of N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine (CID 90860071) is N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine.
What is the SMILES notation for N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine?
The canonical SMILES for N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine is CNC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1.
What is the InChIKey of N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine?
The InChIKey is AWTPFFLJKSPDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-21-11-2-3-12-21/h5-8,20H,2-4,9-16H2,1H3.
What are the key properties of N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine?
N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine has a molecular weight of 318.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine is sourced from PubChem (CID 90860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).