1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

C15H24FN3 — CID 62643582

IUPAC1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCN1CCCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-18-8-4-9-19(12-11-18)10-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyIHPULMLDVJSPSS-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (PubChem CID 62643582) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
PubChem CID62643582
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCN1CCCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-18-8-4-9-19(12-11-18)10-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12,17H2,1H3
InChIKeyIHPULMLDVJSPSS-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643340
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (CID 62643582) is 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is CN1CCCN(CCC(N)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The InChIKey is IHPULMLDVJSPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-8-4-9-19(12-11-18)10-7-15(17)13-5-2-3-6-14(13)16/h2-3,5-6,15H,4,7-12,17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is sourced from PubChem (CID 62643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).