N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine

C14H19ClIN — CID 107631855

IUPACN-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H19ClIN/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3
InChIKeyGRQLJVZDUFVGSS-UHFFFAOYSA-N
MW363.67 g/mol
LogP5.33
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine

N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine (PubChem CID 107631855) has the molecular formula C14H19ClIN and a molecular weight of 363.67 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
PubChem CID107631855
Molecular FormulaC14H19ClIN
Molecular Weight363.67 g/mol
Exact Mass363.03
IUPAC NameN-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H19ClIN/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3
InChIKeyGRQLJVZDUFVGSS-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 55.33
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-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
4-chloro-N,N-dimethyl-2-[(4-methylcycloheptyl)amino]benzamide
CID 65080368
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
3-chloro-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 107807300
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
CID 38911122

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine (CID 107631855) is N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(Cl)cc2I)CC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is GRQLJVZDUFVGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClIN/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine?
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 363.67 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 107631855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).