2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline

C16H15ClIN — CID 55199390

IUPAC2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
SMILESClc1cc(I)ccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H15ClIN/c17-14-10-13(18)8-9-15(14)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeyIDXSHRPVTUTWDE-UHFFFAOYSA-N
MW383.66 g/mol
LogP5.51
Rot. Bonds4

About 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline

2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline (PubChem CID 55199390) has the molecular formula C16H15ClIN and a molecular weight of 383.66 g/mol. Its IUPAC name is 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
PubChem CID55199390
Molecular FormulaC16H15ClIN
Molecular Weight383.66 g/mol
Exact Mass382.99
IUPAC Name2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
SMILESClc1cc(I)ccc1NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H15ClIN/c17-14-10-13(18)8-9-15(14)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2
InChIKeyIDXSHRPVTUTWDE-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 55.51
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-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505
N-[cyclopropyl(phenyl)methyl]-2-(trifluoromethyl)aniline
CID 63418971
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
3-(2-chloro-4-iodoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 107606984
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
4-bromo-2-N-[cyclopropyl(phenyl)methyl]benzene-1,2-diamine
CID 135227866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline (CID 55199390) is 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline is Clc1cc(I)ccc1NC(c1ccccc1)C1CC1.
What is the InChIKey of 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline?
The InChIKey is IDXSHRPVTUTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClIN/c17-14-10-13(18)8-9-15(14)19-16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10,12,16,19H,6-7H2.
What are the key properties of 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline?
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline has a molecular weight of 383.66 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 55199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).