N-[(4-iodophenyl)methyl]morpholin-4-amine

C11H15IN2O — CID 83022461

IUPACN-[(4-iodophenyl)methyl]morpholin-4-amine
SMILESIc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C11H15IN2O/c12-11-3-1-10(2-4-11)9-13-14-5-7-15-8-6-14/h1-4,13H,5-9H2
InChIKeyYNJDSWRUOHDUQG-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.63
Rot. Bonds3

About N-[(4-iodophenyl)methyl]morpholin-4-amine

N-[(4-iodophenyl)methyl]morpholin-4-amine (PubChem CID 83022461) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]morpholin-4-amine
PubChem CID83022461
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-[(4-iodophenyl)methyl]morpholin-4-amine
SMILESIc1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C11H15IN2O/c12-11-3-1-10(2-4-11)9-13-14-5-7-15-8-6-14/h1-4,13H,5-9H2
InChIKeyYNJDSWRUOHDUQG-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
CID 83011765
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
N-[(3-bromo-4-chlorophenyl)methyl]morpholin-4-amine
CID 83230853
N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
CID 83009256
N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
CID 24896832
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
CID 17221797
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
CID 83009821

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]morpholin-4-amine (CID 83022461) is N-[(4-iodophenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]morpholin-4-amine is Ic1ccc(CNN2CCOCC2)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]morpholin-4-amine?
The InChIKey is YNJDSWRUOHDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-11-3-1-10(2-4-11)9-13-14-5-7-15-8-6-14/h1-4,13H,5-9H2.
What are the key properties of N-[(4-iodophenyl)methyl]morpholin-4-amine?
N-[(4-iodophenyl)methyl]morpholin-4-amine has a molecular weight of 318.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).