2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline

C13H18FNO — CID 11042337

IUPAC2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline
SMILESCO[C@@H]1CCCC[C@H]1Nc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyJCNMOCKAFLITSS-CHWSQXEVSA-N
MW223.29 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline

2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline (PubChem CID 11042337) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline
PubChem CID11042337
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline
SMILESCO[C@@H]1CCCC[C@H]1Nc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyJCNMOCKAFLITSS-CHWSQXEVSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxycyclohexyl)-3-(methylsulfanyl)aniline
CID 2851334
N-(2-methoxycyclohexyl)-2,5-dimethylaniline
CID 2850171
N-(2-methoxycyclohexyl)-3,5-dimethylaniline
CID 2851638
2-(Phenylamino)cyclohexanol
CID 10856300
N-(2-methoxyethyl)aniline
CID 1581105
1-Anilinohexan-2-ol
CID 354829
N-(3-fluorophenyl)oxan-4-amine
CID 43608420
N-phenyloxetan-3-amine
CID 63624742
N-(2-Ethoxyethyl)aniline
CID 3015953
N-(2-methoxycyclohexyl)aniline
CID 2851809
(1S,2S)-2-(phenylamino)cyclohexan-1-ol
CID 9877598
trans-2-(n-Methyl-n-phenylamino)cyclohexanol
CID 10536243

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline?
The IUPAC name of 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline (CID 11042337) is 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline?
The canonical SMILES for 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline is CO[C@@H]1CCCC[C@H]1Nc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline?
The InChIKey is JCNMOCKAFLITSS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline?
2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline has a molecular weight of 223.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2R)-2-methoxycyclohexyl]aniline is sourced from PubChem (CID 11042337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).