N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine

C11H21FN4 — CID 174466029

IUPACN,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine
SMILESCN(C)C.NCCNNc1cccc(F)c1
InChIInChI=1S/C8H12FN3.C3H9N/c9-7-2-1-3-8(6-7)12-11-5-4-10;1-4(2)3/h1-3,6,11-12H,4-5,10H2;1-3H3
InChIKeyBMWNBFPPJFGTGI-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.88
Rot. Bonds4

About N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine

N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine (PubChem CID 174466029) has the molecular formula C11H21FN4 and a molecular weight of 228.32 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine
PubChem CID174466029
Molecular FormulaC11H21FN4
Molecular Weight228.32 g/mol
Exact Mass228.18
IUPAC NameN,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine
SMILESCN(C)C.NCCNNc1cccc(F)c1
InChIInChI=1S/C8H12FN3.C3H9N/c9-7-2-1-3-8(6-7)12-11-5-4-10;1-4(2)3/h1-3,6,11-12H,4-5,10H2;1-3H3
InChIKeyBMWNBFPPJFGTGI-UHFFFAOYSA-N
XLogP0.88
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
3-fluoro-N-methylaniline
CID 2759011
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
CID 65382983
(3-fluoroanilino)thiourea
CID 1482872
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-[3-(3-fluoroanilino)propyl]-1,1,3,3-tetramethylguanidine
CID 110032256
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine?
The IUPAC name of N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine (CID 174466029) is N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine.
What is the SMILES notation for N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine?
The canonical SMILES for N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine is CN(C)C.NCCNNc1cccc(F)c1.
What is the InChIKey of N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine?
The InChIKey is BMWNBFPPJFGTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3.C3H9N/c9-7-2-1-3-8(6-7)12-11-5-4-10;1-4(2)3/h1-3,6,11-12H,4-5,10H2;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine?
N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine has a molecular weight of 228.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine is sourced from PubChem (CID 174466029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).