N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine

C11H17FN2 — CID 4720014

IUPACN'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyQDKQHTDTAQQNBK-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.52
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine

N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 4720014) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID4720014
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1ccc(F)cc1
InChIInChI=1S/C11H17FN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyQDKQHTDTAQQNBK-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
CID 103220678
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828
4-[[3-(methylamino)propylamino]methyl]benzoic acid;dihydrochloride
CID 17159605
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596
3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid
CID 11673206
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine (CID 4720014) is N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is QDKQHTDTAQQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-7-2-8-14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4720014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).