1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine

C18H29FN2 — CID 104688989

IUPAC1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCCCCC1CC
InChIInChI=1S/C18H29FN2/c1-3-14-10-6-5-9-13-21(14)18(17(20)4-2)15-11-7-8-12-16(15)19/h7-8,11-12,14,17-18H,3-6,9-10,13,20H2,1-2H3
InChIKeyGRMDPACASIAOTP-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.26
Rot. Bonds5

About 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine

1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine (PubChem CID 104688989) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
PubChem CID104688989
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCCCCC1CC
InChIInChI=1S/C18H29FN2/c1-3-14-10-6-5-9-13-21(14)18(17(20)4-2)15-11-7-8-12-16(15)19/h7-8,11-12,14,17-18H,3-6,9-10,13,20H2,1-2H3
InChIKeyGRMDPACASIAOTP-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
1-(2-ethylazepan-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 104689043
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
[1-[1-(2-fluorophenyl)propyl]piperidin-2-yl]methanamine
CID 112679200
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine (CID 104688989) is 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine is CCC(N)C(c1ccccc1F)N1CCCCCC1CC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is GRMDPACASIAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-14-10-6-5-9-13-21(14)18(17(20)4-2)15-11-7-8-12-16(15)19/h7-8,11-12,14,17-18H,3-6,9-10,13,20H2,1-2H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine?
1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 104688989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).