4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol

C14H21IN2O2 — CID 45028510

IUPAC4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESCc1cc(I)cc(CNCCN2CCOCC2)c1O
InChIInChI=1S/C14H21IN2O2/c1-11-8-13(15)9-12(14(11)18)10-16-2-3-17-4-6-19-7-5-17/h8-9,16,18H,2-7,10H2,1H3
InChIKeyHPHSRTNJKSMYPN-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.73
Rot. Bonds5

About 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol

4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol (PubChem CID 45028510) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
PubChem CID45028510
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol
SMILESCc1cc(I)cc(CNCCN2CCOCC2)c1O
InChIInChI=1S/C14H21IN2O2/c1-11-8-13(15)9-12(14(11)18)10-16-2-3-17-4-6-19-7-5-17/h8-9,16,18H,2-7,10H2,1H3
InChIKeyHPHSRTNJKSMYPN-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
2,4-diiodo-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 119041326
1-(4-iodo-2-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23964682
2-[[3-(4-ethylpiperazin-1-yl)propylamino]methyl]-4,6-diiodophenol
CID 119041348
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
6-methyl-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-3-ol
CID 78928592
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol (CID 45028510) is 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol is Cc1cc(I)cc(CNCCN2CCOCC2)c1O.
What is the InChIKey of 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol?
The InChIKey is HPHSRTNJKSMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-11-8-13(15)9-12(14(11)18)10-16-2-3-17-4-6-19-7-5-17/h8-9,16,18H,2-7,10H2,1H3.
What are the key properties of 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol?
4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol has a molecular weight of 376.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 45028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).