1-(4-benzylmorpholin-2-yl)-N-iodomethanamine

C12H17IN2O — CID 163437962

IUPAC1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
SMILESINCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H17IN2O/c13-14-8-12-10-15(6-7-16-12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyAWCUMSCEYSKZLN-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine

1-(4-benzylmorpholin-2-yl)-N-iodomethanamine (PubChem CID 163437962) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
PubChem CID163437962
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
SMILESINCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H17IN2O/c13-14-8-12-10-15(6-7-16-12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyAWCUMSCEYSKZLN-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine
CID 95972215
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine (CID 163437962) is 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine is INCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine?
The InChIKey is AWCUMSCEYSKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c13-14-8-12-10-15(6-7-16-12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
What are the key properties of 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine?
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine has a molecular weight of 332.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)-N-iodomethanamine is sourced from PubChem (CID 163437962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).