N-[(2-chlorophenyl)methyl]-4-iodoaniline

C13H11ClIN — CID 28878735

IUPACN-[(2-chlorophenyl)methyl]-4-iodoaniline
SMILESClc1ccccc1CNc1ccc(I)cc1
InChIInChI=1S/C13H11ClIN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2
InChIKeyWEUQQPRFYLRPNL-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.56
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-iodoaniline

N-[(2-chlorophenyl)methyl]-4-iodoaniline (PubChem CID 28878735) has the molecular formula C13H11ClIN and a molecular weight of 343.60 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-iodoaniline
PubChem CID28878735
Molecular FormulaC13H11ClIN
Molecular Weight343.60 g/mol
Exact Mass342.96
IUPAC NameN-[(2-chlorophenyl)methyl]-4-iodoaniline
SMILESClc1ccccc1CNc1ccc(I)cc1
InChIInChI=1S/C13H11ClIN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2
InChIKeyWEUQQPRFYLRPNL-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
N-[(2-chlorophenyl)methyl]-4-(2-phenylethoxy)aniline
CID 54800221
N-[(2-chlorophenyl)methyl]quinoxalin-6-amine
CID 54863546
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-iodoaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-iodoaniline (CID 28878735) is N-[(2-chlorophenyl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-iodoaniline is Clc1ccccc1CNc1ccc(I)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-iodoaniline?
The InChIKey is WEUQQPRFYLRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-iodoaniline?
N-[(2-chlorophenyl)methyl]-4-iodoaniline has a molecular weight of 343.60 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 28878735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).