N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine

C16H25FN2O — CID 65074721

IUPACN-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
SMILESCCOc1cc(F)ccc1NC1CCCN(CC)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19-10-5-6-14(9-11-19)18-15-8-7-13(17)12-16(15)20-4-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3
InChIKeyQNPINYYDWXWJSA-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.51
Rot. Bonds5

About N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine

N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine (PubChem CID 65074721) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
PubChem CID65074721
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
SMILESCCOc1cc(F)ccc1NC1CCCN(CC)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19-10-5-6-14(9-11-19)18-15-8-7-13(17)12-16(15)20-4-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3
InChIKeyQNPINYYDWXWJSA-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
N-(2-ethoxy-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43730186
N-(2-ethoxy-4-fluorophenyl)-1-oxothian-4-amine
CID 54981381
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468
N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43730188
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine (CID 65074721) is N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine is CCOc1cc(F)ccc1NC1CCCN(CC)CC1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine?
The InChIKey is QNPINYYDWXWJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19-10-5-6-14(9-11-19)18-15-8-7-13(17)12-16(15)20-4-2/h7-8,12,14,18H,3-6,9-11H2,1-2H3.
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine?
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine has a molecular weight of 280.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).