3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride

C10H17Cl2FN2 — CID 22743258

IUPAC3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccc(CN)c(F)c1
InChIInChI=1S/C10H15FN2.2ClH/c11-10-6-8(2-1-5-12)3-4-9(10)7-13;;/h3-4,6H,1-2,5,7,12-13H2;2*1H
InChIKeyDBXDWNQZLYSONC-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.02
Rot. Bonds4

About 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride

3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride (PubChem CID 22743258) has the molecular formula C10H17Cl2FN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
PubChem CID22743258
Molecular FormulaC10H17Cl2FN2
Molecular Weight255.16 g/mol
Exact Mass254.08
IUPAC Name3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccc(CN)c(F)c1
InChIInChI=1S/C10H15FN2.2ClH/c11-10-6-8(2-1-5-12)3-4-9(10)7-13;;/h3-4,6H,1-2,5,7,12-13H2;2*1H
InChIKeyDBXDWNQZLYSONC-UHFFFAOYSA-N
XLogP2.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
CID 117291420
3-(4-fluoro-3-iodophenyl)propan-1-amine
CID 170867706
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
4-butyl-1-(2,2-difluoroethyl)-2-fluorobenzene
CID 166857103
3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827
3-(4-bromo-3,5-difluorophenyl)propan-1-amine
CID 84803840
4-(3-aminopropyl)benzene-1,2-diamine
CID 82502911
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride (CID 22743258) is 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1ccc(CN)c(F)c1.
What is the InChIKey of 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride?
The InChIKey is DBXDWNQZLYSONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2.2ClH/c11-10-6-8(2-1-5-12)3-4-9(10)7-13;;/h3-4,6H,1-2,5,7,12-13H2;2*1H.
What are the key properties of 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride?
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride has a molecular weight of 255.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 22743258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).