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

C14H21FN2 — CID 54807239

IUPACN-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
SMILESFc1ccccc1NCCN1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-7-3-4-8-14(13)16-9-12-17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12H2
InChIKeyWGZFLHHJBQLZOR-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.11
Rot. Bonds4

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

N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline (PubChem CID 54807239) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
PubChem CID54807239
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
SMILESFc1ccccc1NCCN1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-7-3-4-8-14(13)16-9-12-17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12H2
InChIKeyWGZFLHHJBQLZOR-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

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
CID 62932207
2-[2-(azepan-1-yl)ethylamino]-6-fluorobenzonitrile
CID 52855451
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62773690
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386
2-phenyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911336
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
2-benzyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 11437461
N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
CID 63167614

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline (CID 54807239) is N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline is Fc1ccccc1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline?
The InChIKey is WGZFLHHJBQLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-7-3-4-8-14(13)16-9-12-17-10-5-1-2-6-11-17/h3-4,7-8,16H,1-2,5-6,9-12H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline?
N-[2-(azepan-1-yl)ethyl]-2-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]-2-fluoroaniline is sourced from PubChem (CID 54807239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).