1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine

C17H27FN2 — CID 63624690

IUPAC1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCNC(CCN1CCCC(C)CC1)c1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-14-5-4-10-20(11-8-14)12-9-17(19-2)15-6-3-7-16(18)13-15/h3,6-7,13-14,17,19H,4-5,8-12H2,1-2H3
InChIKeyRLGKLPUJRWUKLW-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine

1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine (PubChem CID 63624690) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
PubChem CID63624690
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
SMILESCNC(CCN1CCCC(C)CC1)c1cccc(F)c1
InChIInChI=1S/C17H27FN2/c1-14-5-4-10-20(11-8-14)12-9-17(19-2)15-6-3-7-16(18)13-15/h3,6-7,13-14,17,19H,4-5,8-12H2,1-2H3
InChIKeyRLGKLPUJRWUKLW-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 107521219
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine (CID 63624690) is 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine is CNC(CCN1CCCC(C)CC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine?
The InChIKey is RLGKLPUJRWUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14-5-4-10-20(11-8-14)12-9-17(19-2)15-6-3-7-16(18)13-15/h3,6-7,13-14,17,19H,4-5,8-12H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine?
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 63624690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).