N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine

C10H14INO — CID 82552100

IUPACN-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(I)ccc1OC
InChIInChI=1S/C10H14INO/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyBNLXQBABRDHUML-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.41
Rot. Bonds4

About N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine

N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine (PubChem CID 82552100) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
PubChem CID82552100
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC NameN-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(I)ccc1OC
InChIInChI=1S/C10H14INO/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
InChIKeyBNLXQBABRDHUML-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.41
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-chloro-5-iodophenyl)methyl]ethanamine
CID 69098832
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
methyl 3-(5-iodo-2-methoxyphenyl)propanoate
CID 82552102
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
CID 102034384
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine (CID 82552100) is N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine is CCNCc1cc(I)ccc1OC.
What is the InChIKey of N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is BNLXQBABRDHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine?
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 291.13 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82552100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).