3-fluoro-4-(propylaminomethyl)aniline

C10H15FN2 — CID 107796533

IUPAC3-fluoro-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N)cc1F
InChIInChI=1S/C10H15FN2/c1-2-5-13-7-8-3-4-9(12)6-10(8)11/h3-4,6,13H,2,5,7,12H2,1H3
InChIKeyMCWOJQLODNJGSN-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.91
Rot. Bonds4

About 3-fluoro-4-(propylaminomethyl)aniline

3-fluoro-4-(propylaminomethyl)aniline (PubChem CID 107796533) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-fluoro-4-(propylaminomethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(propylaminomethyl)aniline
PubChem CID107796533
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name3-fluoro-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N)cc1F
InChIInChI=1S/C10H15FN2/c1-2-5-13-7-8-3-4-9(12)6-10(8)11/h3-4,6,13H,2,5,7,12H2,1H3
InChIKeyMCWOJQLODNJGSN-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581
N-[[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]methyl]propan-1-amine
CID 79691265
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
3-fluoro-4-[[(4-methyloxan-4-yl)methylamino]methyl]aniline
CID 114125922
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
4-amino-2-fluoro-1-[(sulfinoamino)methyl]benzene
CID 69117152
N-[[2-fluoro-4-(4-methyl-3-pyridinyl)phenyl]methyl]propan-1-amine
CID 66272311
3-fluoro-4-(iodomethyl)aniline
CID 91883075

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(propylaminomethyl)aniline?
The IUPAC name of 3-fluoro-4-(propylaminomethyl)aniline (CID 107796533) is 3-fluoro-4-(propylaminomethyl)aniline.
What is the SMILES notation for 3-fluoro-4-(propylaminomethyl)aniline?
The canonical SMILES for 3-fluoro-4-(propylaminomethyl)aniline is CCCNCc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(propylaminomethyl)aniline?
The InChIKey is MCWOJQLODNJGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-2-5-13-7-8-3-4-9(12)6-10(8)11/h3-4,6,13H,2,5,7,12H2,1H3.
What are the key properties of 3-fluoro-4-(propylaminomethyl)aniline?
3-fluoro-4-(propylaminomethyl)aniline has a molecular weight of 182.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(propylaminomethyl)aniline is sourced from PubChem (CID 107796533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).