N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine

C14H23FN2 — CID 62561317

IUPACN-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-4-5-10-17(2)11-9-16-14-8-6-7-13(15)12-14/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyIKFAOXSVBVWPNX-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.36
Rot. Bonds8

About N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine

N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine (PubChem CID 62561317) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
PubChem CID62561317
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CCNc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-4-5-10-17(2)11-9-16-14-8-6-7-13(15)12-14/h6-8,12,16H,3-5,9-11H2,1-2H3
InChIKeyIKFAOXSVBVWPNX-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62557336
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3-(3-fluorophenyl)-1,1-dihexylthiourea
CID 19653368
N-(3-fluorophenyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560027
N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-(3-fluorophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62558790
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine (CID 62561317) is N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine is CCCCCN(C)CCNc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
The InChIKey is IKFAOXSVBVWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-4-5-10-17(2)11-9-16-14-8-6-7-13(15)12-14/h6-8,12,16H,3-5,9-11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine?
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 62561317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).