2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine

C14H23FN2 — CID 80557635

IUPAC2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)Nc1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-3-4-5-10-14(2,11-16)17-13-8-6-12(15)7-9-13/h6-9,17H,3-5,10-11,16H2,1-2H3
InChIKeyRQFPEYUPBNOXKZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.54
Rot. Bonds7

About 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine

2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine (PubChem CID 80557635) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
PubChem CID80557635
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)Nc1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-3-4-5-10-14(2,11-16)17-13-8-6-12(15)7-9-13/h6-9,17H,3-5,10-11,16H2,1-2H3
InChIKeyRQFPEYUPBNOXKZ-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.54
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

2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-(4-fluoroanilino)-2-methylheptanenitrile
CID 80557640
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
N-(4-methyldecan-4-yl)aniline
CID 166741267
4-fluoro-N-heptylaniline
CID 43129312
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
1,4-difluorobenzene;heptan-1-amine
CID 143706023
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine (CID 80557635) is 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine is CCCCCC(C)(CN)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine?
The InChIKey is RQFPEYUPBNOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-4-5-10-14(2,11-16)17-13-8-6-12(15)7-9-13/h6-9,17H,3-5,10-11,16H2,1-2H3.
What are the key properties of 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine?
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine is sourced from PubChem (CID 80557635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).