N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine

C13H15ClIN — CID 63445286

IUPACN-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESClc1cc(I)ccc1NC1CC2CCC1C2
InChIInChI=1S/C13H15ClIN/c14-11-7-10(15)3-4-12(11)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6H2
InChIKeyMAZLACNZGZHQCJ-UHFFFAOYSA-N
MW347.63 g/mol
LogP4.55
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine

N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63445286) has the molecular formula C13H15ClIN and a molecular weight of 347.63 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63445286
Molecular FormulaC13H15ClIN
Molecular Weight347.63 g/mol
Exact Mass346.99
IUPAC NameN-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESClc1cc(I)ccc1NC1CC2CCC1C2
InChIInChI=1S/C13H15ClIN/c14-11-7-10(15)3-4-12(11)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6H2
InChIKeyMAZLACNZGZHQCJ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 54.55
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

1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine
CID 66082516
N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
CID 79839141
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
2-(2-chloro-4-iodoanilino)cyclopentan-1-ol
CID 107606370
4-(2-chloro-4-iodoanilino)oxolan-3-ol
CID 107606411
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate
CID 63428139
2-chloro-4-iodo-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044044
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
CID 107606833

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine (CID 63445286) is N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine is Clc1cc(I)ccc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MAZLACNZGZHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClIN/c14-11-7-10(15)3-4-12(11)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6H2.
What are the key properties of N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 347.63 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63445286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).