3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline

C14H19FIN — CID 114258327

IUPAC3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCC1CCC(CNc2cccc(F)c2I)CC1
InChIInChI=1S/C14H19FIN/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16/h2-4,10-11,17H,5-9H2,1H3
InChIKeyJCOSNPDADPVLHW-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.67
Rot. Bonds3

About 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline

3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline (PubChem CID 114258327) has the molecular formula C14H19FIN and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
PubChem CID114258327
Molecular FormulaC14H19FIN
Molecular Weight347.22 g/mol
Exact Mass347.05
IUPAC Name3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline
SMILESCC1CCC(CNc2cccc(F)c2I)CC1
InChIInChI=1S/C14H19FIN/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16/h2-4,10-11,17H,5-9H2,1H3
InChIKeyJCOSNPDADPVLHW-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.67
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

N-(cyclopropylmethyl)-2,3-difluoroaniline
CID 61076617
N-[(3,3-difluorocyclohexyl)methyl]-3-fluoro-2-iodoaniline
CID 114259853
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 107629684
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 103584772
2-fluoro-6-[(3-methylcyclopentyl)methylamino]benzenecarbothioamide
CID 107413430
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
CID 79042072
1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
CID 143149652
4-bromo-5-fluoro-2-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 116735930
N-(cyclopropylmethyl)-2,3,4-trifluoroaniline
CID 43560276

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline?
The IUPAC name of 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline (CID 114258327) is 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline?
The canonical SMILES for 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline is CC1CCC(CNc2cccc(F)c2I)CC1.
What is the InChIKey of 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline?
The InChIKey is JCOSNPDADPVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FIN/c1-10-5-7-11(8-6-10)9-17-13-4-2-3-12(15)14(13)16/h2-4,10-11,17H,5-9H2,1H3.
What are the key properties of 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline?
3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline has a molecular weight of 347.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodo-N-[(4-methylcyclohexyl)methyl]aniline is sourced from PubChem (CID 114258327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).