N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline

C14H21FN2 — CID 62575706

IUPACN-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCN2CCCCCC2)c1
InChIInChI=1S/C14H21FN2/c15-13-6-5-7-14(12-13)16-8-11-17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11H2
InChIKeyDFCOZQZEMQYDDG-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline

N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline (PubChem CID 62575706) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
PubChem CID62575706
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCN2CCCCCC2)c1
InChIInChI=1S/C14H21FN2/c15-13-6-5-7-14(12-13)16-8-11-17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11H2
InChIKeyDFCOZQZEMQYDDG-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
CID 107395599
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline (CID 62575706) is N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline is Fc1cccc(NCCN2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline?
The InChIKey is DFCOZQZEMQYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-6-5-7-14(12-13)16-8-11-17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline?
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 62575706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).