N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine

C15H23IN2O — CID 43779473

IUPACN-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-12(11-18-7-9-19-10-8-18)17-13(2)14-3-5-15(16)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyJOHPEJQCKCDZKP-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.66
Rot. Bonds5

About N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine

N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 43779473) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID43779473
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC NameN-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H23IN2O/c1-12(11-18-7-9-19-10-8-18)17-13(2)14-3-5-15(16)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyJOHPEJQCKCDZKP-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.66
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

N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 103777480
N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779525
2,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)heptan-4-amine
CID 43675652
N-[1-(4-iodophenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721846
3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
CID 66646151
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779498
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine (CID 43779473) is N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NC(C)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is JOHPEJQCKCDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-12(11-18-7-9-19-10-8-18)17-13(2)14-3-5-15(16)6-4-14/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 374.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 43779473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).