(4-ethoxy-3-iodophenyl)methanamine;hydrochloride

C9H13ClINO — CID 169488700

IUPAC(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
SMILESCCOc1ccc(CN)cc1I.Cl
InChIInChI=1S/C9H12INO.ClH/c1-2-12-9-4-3-7(6-11)5-8(9)10;/h3-5H,2,6,11H2,1H3;1H
InChIKeyBDYODMFKKVBUKV-UHFFFAOYSA-N
MW313.57 g/mol
LogP2.57
Rot. Bonds3

About (4-ethoxy-3-iodophenyl)methanamine;hydrochloride

(4-ethoxy-3-iodophenyl)methanamine;hydrochloride (PubChem CID 169488700) has the molecular formula C9H13ClINO and a molecular weight of 313.57 g/mol. Its IUPAC name is (4-ethoxy-3-iodophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
PubChem CID169488700
Molecular FormulaC9H13ClINO
Molecular Weight313.57 g/mol
Exact Mass312.97
IUPAC Name(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
SMILESCCOc1ccc(CN)cc1I.Cl
InChIInChI=1S/C9H12INO.ClH/c1-2-12-9-4-3-7(6-11)5-8(9)10;/h3-5H,2,6,11H2,1H3;1H
InChIKeyBDYODMFKKVBUKV-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 52.57
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

[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
1-bromo-3-(4-ethoxy-3-iodophenyl)propan-2-one
CID 134616783
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine
CID 65273643

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-iodophenyl)methanamine;hydrochloride?
The IUPAC name of (4-ethoxy-3-iodophenyl)methanamine;hydrochloride (CID 169488700) is (4-ethoxy-3-iodophenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-ethoxy-3-iodophenyl)methanamine;hydrochloride?
The canonical SMILES for (4-ethoxy-3-iodophenyl)methanamine;hydrochloride is CCOc1ccc(CN)cc1I.Cl.
What is the InChIKey of (4-ethoxy-3-iodophenyl)methanamine;hydrochloride?
The InChIKey is BDYODMFKKVBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO.ClH/c1-2-12-9-4-3-7(6-11)5-8(9)10;/h3-5H,2,6,11H2,1H3;1H.
What are the key properties of (4-ethoxy-3-iodophenyl)methanamine;hydrochloride?
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride has a molecular weight of 313.57 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-iodophenyl)methanamine;hydrochloride is sourced from PubChem (CID 169488700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).