N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine

C14H22INO — CID 114030204

IUPACN-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(C)c1I
InChIInChI=1S/C14H22INO/c1-4-9-16-13(10-17-5-2)12-8-6-7-11(3)14(12)15/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyYBTXTTDFLZNDTB-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.68
Rot. Bonds7

About N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine

N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine (PubChem CID 114030204) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine
PubChem CID114030204
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC NameN-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccc(C)c1I
InChIInChI=1S/C14H22INO/c1-4-9-16-13(10-17-5-2)12-8-6-7-11(3)14(12)15/h6-8,13,16H,4-5,9-10H2,1-3H3
InChIKeyYBTXTTDFLZNDTB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105165101
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63474742
N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
CID 114030122
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
N-[2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethyl]propan-1-amine
CID 105007866
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 103406671
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine (CID 114030204) is N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine is CCCNC(COCC)c1cccc(C)c1I.
What is the InChIKey of N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is YBTXTTDFLZNDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-4-9-16-13(10-17-5-2)12-8-6-7-11(3)14(12)15/h6-8,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine?
N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 347.24 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114030204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).