4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline

C12H19FN2 — CID 84677883

IUPAC4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
SMILESCC(C)(F)CCNc1ccc(CN)cc1
InChIInChI=1S/C12H19FN2/c1-12(2,13)7-8-15-11-5-3-10(9-14)4-6-11/h3-6,15H,7-9,14H2,1-2H3
InChIKeyHCUPVDYRBYAYET-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.70
Rot. Bonds5

About 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline

4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline (PubChem CID 84677883) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
PubChem CID84677883
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
SMILESCC(C)(F)CCNc1ccc(CN)cc1
InChIInChI=1S/C12H19FN2/c1-12(2,13)7-8-15-11-5-3-10(9-14)4-6-11/h3-6,15H,7-9,14H2,1-2H3
InChIKeyHCUPVDYRBYAYET-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 22693559
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
3-[4-(aminomethyl)anilino]propanenitrile
CID 57214812
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-(chloromethyl)-N-(3,3-dimethylbutyl)aniline
CID 65025573
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline
CID 105484105
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
CID 166062456
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
CID 174182706
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline (CID 84677883) is 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline is CC(C)(F)CCNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline?
The InChIKey is HCUPVDYRBYAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(2,13)7-8-15-11-5-3-10(9-14)4-6-11/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline?
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline has a molecular weight of 210.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline is sourced from PubChem (CID 84677883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).