N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine

C16H27FN2 — CID 63503917

IUPACN'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-4-5-6-7-14(2)18-12-13-19(3)16-10-8-15(17)9-11-16/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJDFKMUAVJYGNBJ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.82
Rot. Bonds9

About N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine

N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine (PubChem CID 63503917) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
PubChem CID63503917
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-4-5-6-7-14(2)18-12-13-19(3)16-10-8-15(17)9-11-16/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJDFKMUAVJYGNBJ-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.82
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-butyl-4-fluoro-N-methylaniline
CID 70573878
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
N-[2-(3,5-difluorophenyl)ethyl]heptan-2-amine
CID 62605169
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine (CID 63503917) is N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine is CCCCCC(C)NCCN(C)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The InChIKey is JDFKMUAVJYGNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-5-6-7-14(2)18-12-13-19(3)16-10-8-15(17)9-11-16/h8-11,14,18H,4-7,12-13H2,1-3H3.
What are the key properties of N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63503917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).