N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine

C9H13FN2 — CID 115225832

IUPACN'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
SMILESCN(CN)Cc1ccc(F)cc1
InChIInChI=1S/C9H13FN2/c1-12(7-11)6-8-2-4-9(10)5-3-8/h2-5H,6-7,11H2,1H3
InChIKeyGMJBZRFSZUXJAH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.17
Rot. Bonds3

About N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine

N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine (PubChem CID 115225832) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
PubChem CID115225832
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
SMILESCN(CN)Cc1ccc(F)cc1
InChIInChI=1S/C9H13FN2/c1-12(7-11)6-8-2-4-9(10)5-3-8/h2-5H,6-7,11H2,1H3
InChIKeyGMJBZRFSZUXJAH-UHFFFAOYSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62272643
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679516
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661092
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine (CID 115225832) is N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine is CN(CN)Cc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine?
The InChIKey is GMJBZRFSZUXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12(7-11)6-8-2-4-9(10)5-3-8/h2-5H,6-7,11H2,1H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine?
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine has a molecular weight of 168.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine is sourced from PubChem (CID 115225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).