4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol

C16H26N2O2 — CID 170866768

IUPAC4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
SMILESCN(C)CCCc1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C16H26N2O2/c1-17(2)7-3-4-14-5-6-16(19)15(12-14)13-18-8-10-20-11-9-18/h5-6,12,19H,3-4,7-11,13H2,1-2H3
InChIKeyOGNUSBOMHYOODH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.72
Rot. Bonds6

About 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol

4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol (PubChem CID 170866768) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
PubChem CID170866768
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
SMILESCN(C)CCCc1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C16H26N2O2/c1-17(2)7-3-4-14-5-6-16(19)15(12-14)13-18-8-10-20-11-9-18/h5-6,12,19H,3-4,7-11,13H2,1-2H3
InChIKeyOGNUSBOMHYOODH-UHFFFAOYSA-N
XLogP1.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide
CID 86639069
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-[2-(dimethylamino)ethyl]-2-(2-hydroxyethyl)phenol
CID 117299095
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
2-(piperidin-1-ylmethyl)-4-[3-[4-(trifluoromethyl)phenyl]propyl]phenol;hydrochloride
CID 122184324
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
4-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-5-(4-methylphenyl)dithiole-3-thione
CID 139658055

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol?
The IUPAC name of 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol (CID 170866768) is 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol is CN(C)CCCc1ccc(O)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol?
The InChIKey is OGNUSBOMHYOODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17(2)7-3-4-14-5-6-16(19)15(12-14)13-18-8-10-20-11-9-18/h5-6,12,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol?
4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol has a molecular weight of 278.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 170866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).