N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline

C14H21FN2 — CID 63047164

IUPACN-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC(N)C1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-17(14-8-3-2-7-13(14)15)10-11-5-4-6-12(16)9-11/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyAMTAYQMQOGZQLU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline

N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline (PubChem CID 63047164) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
PubChem CID63047164
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC(N)C1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-17(14-8-3-2-7-13(14)15)10-11-5-4-6-12(16)9-11/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3
InChIKeyAMTAYQMQOGZQLU-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline (CID 63047164) is N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline is CN(CC1CCCC(N)C1)c1ccccc1F.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is AMTAYQMQOGZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(14-8-3-2-7-13(14)15)10-11-5-4-6-12(16)9-11/h2-3,7-8,11-12H,4-6,9-10,16H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline?
N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 63047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).