1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine

C17H28N2O2 — CID 170870625

IUPAC1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CCCN2CCOCC2)cc1CN(C)C
InChIInChI=1S/C17H28N2O2/c1-18(2)14-16-13-15(6-7-17(16)20-3)5-4-8-19-9-11-21-12-10-19/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyXMHYJZRPZWLTBP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.02
Rot. Bonds7

About 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine

1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 170870625) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
PubChem CID170870625
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CCCN2CCOCC2)cc1CN(C)C
InChIInChI=1S/C17H28N2O2/c1-18(2)14-16-13-15(6-7-17(16)20-3)5-4-8-19-9-11-21-12-10-19/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyXMHYJZRPZWLTBP-UHFFFAOYSA-N
XLogP2.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870194
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine (CID 170870625) is 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine is COc1ccc(CCCN2CCOCC2)cc1CN(C)C.
What is the InChIKey of 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is XMHYJZRPZWLTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18(2)14-16-13-15(6-7-17(16)20-3)5-4-8-19-9-11-21-12-10-19/h6-7,13H,4-5,8-12,14H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine?
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 170870625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).