N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline

C19H32FN — CID 144857612

IUPACN-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
SMILESCCCC(C)(CCC(C)C)Nc1ccc(C(C)C)cc1F
InChIInChI=1S/C19H32FN/c1-7-11-19(6,12-10-14(2)3)21-18-9-8-16(15(4)5)13-17(18)20/h8-9,13-15,21H,7,10-12H2,1-6H3
InChIKeyDKBGXOASVLVYKH-UHFFFAOYSA-N
MW293.47 g/mol
LogP6.36
Rot. Bonds8

About N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline

N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline (PubChem CID 144857612) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
PubChem CID144857612
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
SMILESCCCC(C)(CCC(C)C)Nc1ccc(C(C)C)cc1F
InChIInChI=1S/C19H32FN/c1-7-11-19(6,12-10-14(2)3)21-18-9-8-16(15(4)5)13-17(18)20/h8-9,13-15,21H,7,10-12H2,1-6H3
InChIKeyDKBGXOASVLVYKH-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline;prop-1-ene;pyrimidin-5-ylmethanamine
CID 144857611
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(3-methylbutyl)-4-propan-2-ylbenzene
CID 158638695
2-methyl-4-propan-2-yl-N-(trifluoromethyl)aniline
CID 162581899
4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
CID 123353438
2-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-4-propan-2-ylaniline
CID 167911169
2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine
CID 107303842
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline?
The IUPAC name of N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline (CID 144857612) is N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline.
What is the SMILES notation for N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline?
The canonical SMILES for N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline is CCCC(C)(CCC(C)C)Nc1ccc(C(C)C)cc1F.
What is the InChIKey of N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline?
The InChIKey is DKBGXOASVLVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-7-11-19(6,12-10-14(2)3)21-18-9-8-16(15(4)5)13-17(18)20/h8-9,13-15,21H,7,10-12H2,1-6H3.
What are the key properties of N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline?
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline has a molecular weight of 293.47 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline is sourced from PubChem (CID 144857612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).