N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline

C14H13ClINO — CID 104815730

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(I)cc1
InChIInChI=1S/C14H13ClINO/c1-18-14-4-2-3-13(15)12(14)9-17-11-7-5-10(16)6-8-11/h2-8,17H,9H2,1H3
InChIKeyHAOUDKQFCDPPBH-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.57
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline

N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline (PubChem CID 104815730) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
PubChem CID104815730
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(I)cc1
InChIInChI=1S/C14H13ClINO/c1-18-14-4-2-3-13(15)12(14)9-17-11-7-5-10(16)6-8-11/h2-8,17H,9H2,1H3
InChIKeyHAOUDKQFCDPPBH-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.57
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

N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylsulfonylaniline
CID 133475336
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 104815922
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 103292573
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline (CID 104815730) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline is COc1cccc(Cl)c1CNc1ccc(I)cc1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline?
The InChIKey is HAOUDKQFCDPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c1-18-14-4-2-3-13(15)12(14)9-17-11-7-5-10(16)6-8-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline has a molecular weight of 373.62 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 104815730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).