N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine

C10H13FN2 — CID 139501257

IUPACN-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine
SMILESC=NN(CC)Cc1ccccc1F
InChIInChI=1S/C10H13FN2/c1-3-13(12-2)8-9-6-4-5-7-10(9)11/h4-7H,2-3,8H2,1H3
InChIKeyNAVGJROETHXHRJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.26
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine

N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine (PubChem CID 139501257) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine
PubChem CID139501257
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine
SMILESC=NN(CC)Cc1ccccc1F
InChIInChI=1S/C10H13FN2/c1-3-13(12-2)8-9-6-4-5-7-10(9)11/h4-7H,2-3,8H2,1H3
InChIKeyNAVGJROETHXHRJ-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
azane;1-ethyl-2-fluorobenzene
CID 66657049
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
CID 6425660
N-[(2-fluorophenyl)methyl]-N-oxidonitrous amide
CID 3744027
2-amino-1-[(2-fluorophenyl)methyl]-1-methylguanidine
CID 77053904
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine (CID 139501257) is N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine is C=NN(CC)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine?
The InChIKey is NAVGJROETHXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-13(12-2)8-9-6-4-5-7-10(9)11/h4-7H,2-3,8H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine?
N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine has a molecular weight of 180.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(methylideneamino)ethanamine is sourced from PubChem (CID 139501257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).