4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine

C16H23F2N — CID 58458143

IUPAC4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
SMILESC=C(C(C)C)C(CC(C)(C)N)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-10(2)11(3)13(9-16(4,5)19)12-6-7-14(17)15(18)8-12/h6-8,10,13H,3,9,19H2,1-2,4-5H3
InChIKeyBWMJMYHUXWREMT-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.39
Rot. Bonds5

About 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine

4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine (PubChem CID 58458143) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
PubChem CID58458143
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
SMILESC=C(C(C)C)C(CC(C)(C)N)c1ccc(F)c(F)c1
InChIInChI=1S/C16H23F2N/c1-10(2)11(3)13(9-16(4,5)19)12-6-7-14(17)15(18)8-12/h6-8,10,13H,3,9,19H2,1-2,4-5H3
InChIKeyBWMJMYHUXWREMT-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
CID 58458290
5-amino-3-(3-fluoro-4-iodophenyl)-5-methylhexan-2-one
CID 70821781
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011696
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine (CID 58458143) is 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine is C=C(C(C)C)C(CC(C)(C)N)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
The InChIKey is BWMJMYHUXWREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10(2)11(3)13(9-16(4,5)19)12-6-7-14(17)15(18)8-12/h6-8,10,13H,3,9,19H2,1-2,4-5H3.
What are the key properties of 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine?
4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine is sourced from PubChem (CID 58458143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).