N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline

C14H20FIN2 — CID 58437592

IUPACN-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
SMILESCN(CC1CCC(N)CC1)c1ccc(I)cc1F
InChIInChI=1S/C14H20FIN2/c1-18(9-10-2-5-12(17)6-3-10)14-7-4-11(16)8-13(14)15/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3
InChIKeyZQNFZALSHZWSEC-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.38
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline

N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline (PubChem CID 58437592) has the molecular formula C14H20FIN2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
PubChem CID58437592
Molecular FormulaC14H20FIN2
Molecular Weight362.23 g/mol
Exact Mass362.07
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
SMILESCN(CC1CCC(N)CC1)c1ccc(I)cc1F
InChIInChI=1S/C14H20FIN2/c1-18(9-10-2-5-12(17)6-3-10)14-7-4-11(16)8-13(14)15/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3
InChIKeyZQNFZALSHZWSEC-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.38
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

[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213393
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
4-[cyclohexylmethyl(methyl)amino]-3-fluorobenzenecarbothioamide
CID 61447014
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
4-chloro-N-(cyclopropylmethoxy)-2,3-difluoro-N-(2-fluoro-4-iodophenyl)aniline
CID 141033295
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline (CID 58437592) is N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline is CN(CC1CCC(N)CC1)c1ccc(I)cc1F.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline?
The InChIKey is ZQNFZALSHZWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FIN2/c1-18(9-10-2-5-12(17)6-3-10)14-7-4-11(16)8-13(14)15/h4,7-8,10,12H,2-3,5-6,9,17H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline?
N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline has a molecular weight of 362.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline is sourced from PubChem (CID 58437592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).