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

C15H24FN3 — CID 55016999

IUPAC1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(F)cc1)N1CCCN(C)CC1
InChIInChI=1S/C15H24FN3/c1-12(17)15(13-4-6-14(16)7-5-13)19-9-3-8-18(2)10-11-19/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeySAGXCRCDLVKPAU-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds3

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

1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (PubChem CID 55016999) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine
PubChem CID55016999
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(F)cc1)N1CCCN(C)CC1
InChIInChI=1S/C15H24FN3/c1-12(17)15(13-4-6-14(16)7-5-13)19-9-3-8-18(2)10-11-19/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeySAGXCRCDLVKPAU-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(2,5-difluorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 82305573
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 79919024
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 16790834
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464189
2-(4-methyl-1,4-diazepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 43131514

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (CID 55016999) is 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine is CC(N)C(c1ccc(F)cc1)N1CCCN(C)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The InChIKey is SAGXCRCDLVKPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(17)15(13-4-6-14(16)7-5-13)19-9-3-8-18(2)10-11-19/h4-7,12,15H,3,8-11,17H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine?
1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine is sourced from PubChem (CID 55016999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).